data_6pvt_residue ############################ # Computer software used # ############################ 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 6pvt _Structure_validation_residue.Date_analyzed 2020-01-31 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 ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.71 0.29 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -51.78 -37.16 64.85 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.573 2.182 . . . . 0.0 111.979 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.69 -71.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.298 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -160.87 160.52 31.12 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.61 -41.95 92.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.925 0.393 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.4 mt -68.55 -34.52 75.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -71.41 -43.5 66.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.238 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.65 -45.25 92.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.0 m -60.79 -51.05 70.99 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.586 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -59.83 -38.06 80.97 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.571 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -59.75 -50.12 75.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.0 mt -67.46 -41.55 86.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.764 0.316 . . . . 0.0 110.971 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.7 -24.94 67.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.686 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.6 p -82.74 -41.37 19.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.766 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.59 -48.43 81.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.039 0.447 . . . . 0.0 110.196 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.9 -41.26 78.46 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.329 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -52.68 -44.34 66.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.469 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -25.87 53.45 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.326 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.1 mtt -71.02 -59.93 2.51 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.664 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.92 97.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 32.4 t90 -63.43 -37.85 88.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.807 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.7 m -66.82 -43.35 84.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.313 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.24 -42.94 97.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.873 0.368 . . . . 0.0 110.446 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.64 -39.54 98.03 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -69.28 -38.96 78.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.791 0.329 . . . . 0.0 111.2 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.777 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 59.6 mp0 . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 120.66 0.267 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -51.72 -37.34 64.52 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.637 2.225 . . . . 0.0 111.929 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.57 -71.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.365 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -160.76 160.61 31.5 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.67 -42.21 93.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.85 0.357 . . . . 0.0 110.753 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 64.1 mt -68.03 -35.09 77.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.942 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.6 t -70.94 -43.69 67.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.142 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 85.7 mt -65.43 -45.28 93.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 94.6 m -60.7 -51.2 70.38 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.549 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.7 m -59.63 -38.31 81.02 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.477 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.56 -50.24 74.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.1 mt -67.19 -41.78 87.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.003 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.34 -25.5 68.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.592 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 59.6 p -82.06 -41.89 19.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.699 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.27 -48.57 81.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.189 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.61 -41.29 79.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.366 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -52.62 -44.94 66.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.396 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -26.34 56.22 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.292 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 46.5 mtt -70.73 -59.91 2.55 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.724 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.01 -41.86 97.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.78 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -63.33 -38.52 91.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.715 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 8.2 m -66.15 -43.88 85.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.31 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.84 -42.84 96.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.396 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.66 -40.01 98.62 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -68.62 -39.84 80.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 111.15 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.735 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 59.6 mp0 . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.627 0.251 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -51.71 -37.0 63.77 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.555 2.17 . . . . 0.0 112.055 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.9 -71.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.442 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -161.18 160.7 30.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.096 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.73 -42.52 94.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.875 0.369 . . . . 0.0 110.762 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 63.4 mt -67.73 -35.37 78.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 46.7 t -70.74 -43.67 68.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.1 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 85.5 mt -65.5 -45.13 93.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 93.9 m -60.89 -51.2 70.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.574 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.7 m -59.45 -38.48 80.85 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.458 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -59.4 -50.25 74.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 94.7 mt -67.13 -42.02 87.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.033 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.05 -25.86 68.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.587 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 59.6 p -81.57 -42.04 20.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.731 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.75 80.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.139 0.495 . . . . 0.0 110.152 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.46 -41.45 80.17 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.284 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -52.3 -45.29 65.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.374 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -26.23 56.43 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.265 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 46.3 mtt -70.78 -60.04 2.47 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.686 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.89 97.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.821 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -63.12 -38.76 92.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.712 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 8.1 m -66.05 -44.09 85.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.288 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.58 -43.0 96.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.414 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.45 -40.31 98.91 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -68.23 -40.09 82.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 111.148 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.717 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.697 0.285 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.92 -36.87 65.62 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.64 2.227 . . . . 0.0 111.985 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.04 -71.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.344 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -161.23 160.69 30.27 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.69 -42.37 94.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.785 0.326 . . . . 0.0 110.748 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 63.9 mt -68.02 -34.87 77.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -71.28 -43.42 67.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.141 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 85.0 mt -65.7 -45.05 93.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 92.0 m -60.96 -51.23 70.14 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.496 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 74.4 m -59.65 -38.09 80.47 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.5 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.74 -50.0 75.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.984 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 94.2 mt -67.44 -41.64 86.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.862 0.363 . . . . 0.0 111.035 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 45.2 mt -64.44 -25.43 68.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.666 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 63.7 p -82.17 -41.61 20.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.643 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.43 81.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.126 0.489 . . . . 0.0 110.193 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -68.77 -41.48 78.76 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.228 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -52.35 -44.92 65.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.457 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.41 -25.98 55.06 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.263 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 46.0 mtt -70.97 -60.04 2.45 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.683 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.79 97.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -63.18 -38.36 90.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.757 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 7.8 m -66.44 -43.71 84.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.273 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.02 -42.97 96.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.415 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.48 -39.91 98.42 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -68.67 -39.63 80.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 111.063 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.648 0.261 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -50.62 -42.52 49.59 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.549 2.166 . . . . 0.0 112.079 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -157.45 -58.4 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.486 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -172.52 170.02 4.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.475 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.8 mp -59.08 -39.35 78.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.542 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.85 -32.57 73.83 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.42 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.5 m -74.59 -38.84 62.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.083 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.7 -46.76 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.728 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.0 m -62.04 -51.21 68.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.97 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.5 t -55.4 -40.23 71.16 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.355 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.7 -47.83 84.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.37 -43.18 97.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 121.094 0.473 . . . . 0.0 110.583 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.88 -28.23 69.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.418 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.9 m -73.59 -45.7 51.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.859 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.72 -51.86 67.81 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.134 0.492 . . . . 0.0 110.207 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.3 -39.61 89.45 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.057 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -49.6 -53.14 25.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.818 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -22.25 58.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.247 0.342 . . . . 0.0 111.002 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.7 mtp -70.92 -61.81 1.62 Allowed 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.425 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.23 -40.91 94.69 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.042 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 71.3 t90 -61.9 -42.89 99.61 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.669 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.6 m -63.73 -43.82 95.36 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.25 -45.77 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.356 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.09 -43.5 98.23 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.79 -43.21 76.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.828 0.347 . . . . 0.0 110.353 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.635 -179.83 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.678 0.275 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -50.41 -42.58 47.87 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.507 2.138 . . . . 0.0 112.208 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -157.36 -58.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.546 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -172.35 169.99 5.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.395 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 2.8 mp -59.09 -39.3 78.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.549 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.77 -32.49 73.65 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.465 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 64.4 m -74.81 -38.76 62.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.147 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.71 -46.78 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.698 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.93 -51.13 69.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.1 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.8 t -55.63 -40.0 71.59 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.392 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.87 -47.74 84.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.603 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.3 -43.29 97.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.14 0.495 . . . . 0.0 110.658 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 63.4 mt -62.91 -28.05 69.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.281 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 73.0 m -73.67 -45.64 51.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.94 -51.89 67.78 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.176 0.512 . . . . 0.0 110.256 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.18 -39.66 89.9 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.023 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -49.51 -53.1 25.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.896 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -22.09 58.78 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 123.37 0.419 . . . . 0.0 111.052 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 3.7 mtp -71.04 -62.02 1.55 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.344 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.95 95.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.072 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 70.9 t90 -61.96 -42.82 99.55 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.731 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m -64.01 -43.43 95.64 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.928 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.49 -45.83 97.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.317 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.09 -43.29 98.43 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -43.05 77.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.375 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 50.7 tp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.705 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.617 0.246 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -50.4 -42.66 47.55 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.554 2.169 . . . . 0.0 112.159 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -157.29 -58.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -172.42 170.12 5.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.421 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -59.2 -39.31 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.569 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.65 -32.62 73.71 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.146 0.498 . . . . 0.0 110.486 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 63.0 m -74.81 -38.68 62.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.122 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.84 -46.57 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.687 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 85.0 m -62.12 -51.16 69.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.04 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 37.9 t -55.54 -40.2 71.56 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.278 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -59.64 -47.91 83.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.611 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.24 -43.24 97.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-O 121.084 0.469 . . . . 0.0 110.585 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 63.3 mt -63.02 -28.01 69.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.282 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 73.4 m -73.64 -45.75 50.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.779 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.76 -52.02 67.15 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.211 0.529 . . . . 0.0 110.2 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 74.2 mt -66.14 -39.62 89.97 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.069 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -49.57 -53.21 25.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.742 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -22.27 58.89 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 123.315 0.384 . . . . 0.0 111.086 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 3.6 mtp -70.98 -61.88 1.6 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.36 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.91 94.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.062 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -61.93 -42.97 99.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.651 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m -63.81 -43.63 95.67 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.33 -45.96 97.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.397 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.01 -43.43 98.2 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -43.18 76.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.807 0.337 . . . . 0.0 110.361 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.67 -179.878 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.582 0.229 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.61 -42.61 49.17 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.496 2.131 . . . . 0.0 112.121 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -157.32 -58.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.423 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -172.31 170.06 5.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.426 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -59.04 -39.31 78.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.551 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.89 -32.52 73.8 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.457 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 63.5 m -74.67 -38.92 62.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.139 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.8 -46.63 93.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 85.8 m -62.02 -51.1 69.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.01 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -55.6 -40.1 71.63 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.411 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.87 -47.75 84.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.29 -43.19 97.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.08 0.467 . . . . 0.0 110.596 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 64.5 mt -63.12 -27.93 69.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -73.91 -45.57 49.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.765 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.85 67.88 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.152 0.501 . . . . 0.0 110.167 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.21 -39.73 89.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 110.035 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -49.65 -52.85 27.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.822 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -22.34 58.37 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.339 0.4 . . . . 0.0 111.025 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 3.6 mtp -70.96 -61.45 1.76 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.98 0.419 . . . . 0.0 111.476 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.02 93.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.063 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 70.6 t90 -61.84 -42.74 99.41 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.678 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 18.8 m -63.91 -43.62 95.4 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.978 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.46 -45.75 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.377 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.14 -43.33 98.46 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.94 -43.13 77.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 110.347 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 52.0 tp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.582 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 CA--C 1.537 0.452 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -71.47 -33.76 10.44 Favored 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.107 1.871 . . . . 0.0 112.406 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -155.17 -79.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.63 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -148.91 166.65 27.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.484 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.88 -38.77 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.357 0.598 . . . . 0.0 110.473 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.88 -34.95 74.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.2 t -68.23 -44.29 76.05 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.856 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 pt -68.92 -30.96 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.217 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -63.13 -52.37 62.79 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.8 t -60.26 -36.55 78.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.492 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -59.24 -50.72 72.93 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.6 mm -66.1 -39.62 84.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.351 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.08 -63.43 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.7 m -47.81 -36.51 11.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.236 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.82 -53.38 58.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.263 0.554 . . . . 0.0 110.79 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -70.42 -20.39 62.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.707 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -68.98 -45.31 70.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.119 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.37 -23.11 47.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.74 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.73 -60.43 2.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.194 0.521 . . . . 0.0 111.026 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.36 95.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.989 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -62.26 -37.09 84.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.569 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -65.88 -43.63 87.74 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.004 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.02 -43.84 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.42 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.5 -41.09 99.81 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -60.12 -42.55 94.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.0 mt . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.58 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -71.54 -33.75 10.3 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 122.086 1.857 . . . . 0.0 112.362 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -155.14 -79.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.626 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -149.16 166.56 28.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.418 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.77 -38.73 74.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.278 0.561 . . . . 0.0 110.5 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.79 -35.19 74.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.0 t -67.9 -44.67 76.41 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.809 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 43.3 pt -68.48 -31.15 50.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.263 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 52.9 t -63.03 -52.28 63.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.0 t -60.29 -36.76 78.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.461 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -59.07 -50.92 72.21 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.051 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 11.6 mm -66.03 -39.49 84.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.367 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.09 -63.62 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 58.0 m -47.39 -36.9 10.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 110.184 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.59 -53.56 56.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.219 0.533 . . . . 0.0 110.708 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -70.39 -20.15 62.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -69.24 -45.24 70.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.186 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.26 -23.33 47.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.745 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.53 -60.59 2.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.117 0.484 . . . . 0.0 110.977 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.68 -42.32 95.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.005 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 48.1 t90 -62.25 -37.19 84.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.521 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -65.71 -43.85 87.86 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.964 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.86 -43.76 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.449 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.61 -41.2 99.84 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -60.06 -42.7 95.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.828 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.643 -179.89 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 . . . . . 0 CA--C 1.537 0.474 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -71.44 -33.88 10.32 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.088 1.858 . . . . 0.0 112.406 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -155.05 -79.66 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.62 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -148.86 166.67 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.529 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.83 -38.8 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.333 0.587 . . . . 0.0 110.501 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.77 -35.16 74.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 37.2 t -68.01 -44.46 76.48 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.781 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 pt -68.79 -31.01 49.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.174 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 53.1 t -63.19 -52.36 62.64 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 47.0 t -60.21 -36.64 78.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -59.1 -50.88 72.37 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 11.5 mm -66.05 -39.62 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.388 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 52.6 mt -58.06 -63.47 1.25 Allowed 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 57.8 m -47.67 -36.62 11.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.744 0.307 . . . . 0.0 110.186 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.77 -53.4 58.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.257 0.551 . . . . 0.0 110.781 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.7 mt -70.38 -20.45 62.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.708 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -68.95 -45.38 70.88 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.111 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.3 -23.17 47.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.763 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 19.3 mmt -70.52 -60.46 2.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.138 0.494 . . . . 0.0 111.062 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.78 -42.31 95.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.949 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -62.24 -37.25 84.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -65.7 -43.82 88.02 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.954 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.83 -43.82 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.502 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.53 -41.21 99.81 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -60.05 -42.66 94.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.678 -179.933 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -71.45 -33.87 10.33 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 122.095 1.864 . . . . 0.0 112.342 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -155.12 -79.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.711 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -149.23 166.54 28.57 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.393 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . 0.403 HG21 HD13 ' D' ' 7' ' ' ILE . 84.4 mt -58.81 -38.65 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.311 0.577 . . . . 0.0 110.479 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.87 -35.22 74.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 37.1 t -67.91 -44.61 76.53 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.827 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 pt -68.51 -31.18 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.287 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -63.06 -52.28 63.39 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -60.36 -36.77 78.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.368 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -58.93 -51.07 71.64 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.019 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 11.6 mm -66.01 -39.18 83.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.35 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 50.2 mt -59.59 -60.75 3.35 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.873 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 57.8 m -49.17 -36.58 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.175 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.67 -53.54 56.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.227 0.537 . . . . 0.0 110.727 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 59.3 mt -70.28 -20.23 63.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.729 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -69.22 -45.28 70.22 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.123 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.2 -23.48 47.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.726 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.39 -60.59 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.202 0.525 . . . . 0.0 111.042 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.21 95.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.078 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 47.9 t90 -62.3 -37.24 84.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.583 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -65.73 -43.78 88.0 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.984 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.97 -43.55 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.48 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.74 -41.19 99.88 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -60.03 -42.69 94.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.751 0.31 . . . . 0.0 110.845 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.625 -179.885 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 120.438 0.161 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.72 -39.87 0.62 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.583 2.189 . . . . 0.0 112.085 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.98 -75.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.525 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -147.5 163.08 37.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.613 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.4 pt -59.09 -32.49 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.101 0.477 . . . . 0.0 110.543 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.0 mt -72.42 -32.32 66.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.895 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -71.91 -42.27 66.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.307 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.5 pt -71.05 -35.25 58.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.636 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.6 m -64.52 -52.43 57.79 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.536 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.4 p -62.45 -32.51 73.4 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.171 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -59.98 -50.34 74.14 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 mm -67.04 -44.48 88.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.982 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.23 -27.16 69.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.486 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -75.06 -44.88 45.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.562 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.52 -46.82 87.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.406 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.53 -23.47 58.81 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.498 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -66.34 -50.1 64.73 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.111 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -23.6 56.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.44 -60.23 2.39 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.349 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.82 93.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.232 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -63.08 -40.97 99.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.631 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 m -65.53 -43.1 91.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.092 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.3 -44.04 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.518 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.47 -41.97 99.74 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -61.05 -42.0 97.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.659 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.706 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 120.506 0.194 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -76.85 -39.78 0.6 Allowed 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 122.601 2.201 . . . . 0.0 112.146 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.97 -76.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.49 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -147.27 163.13 37.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.603 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 pt -59.17 -32.35 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.071 0.462 . . . . 0.0 110.593 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 39.2 mt -72.64 -32.11 65.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.848 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -72.08 -41.95 66.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.417 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 pt -71.3 -35.21 56.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.591 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 65.7 m -64.51 -52.56 57.21 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.44 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 91.1 p -62.51 -32.35 73.26 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.177 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -60.06 -50.23 74.54 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.887 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 10.7 mm -67.14 -44.58 87.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.901 0.381 . . . . 0.0 110.962 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.19 -27.03 69.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.565 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -75.08 -44.7 45.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.567 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.76 88.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.496 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 44.1 mt -74.54 -23.56 58.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.466 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -66.13 -50.15 65.0 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.24 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.77 -23.31 55.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.67 -60.42 2.27 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.286 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.96 95.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.359 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -63.19 -40.85 98.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.598 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 17.4 m -65.8 -42.89 90.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.044 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.4 -44.18 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.461 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.39 -41.83 99.74 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -61.1 -41.88 97.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.626 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.745 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 . . . . . 0 CA--C 1.53 0.196 0 CA-C-O 120.511 0.196 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.6 -39.89 0.65 Allowed 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.551 2.167 . . . . 0.0 112.122 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.97 -75.95 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.527 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -147.65 162.87 38.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.627 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 25.5 pt -58.91 -32.34 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.542 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 38.9 mt -72.51 -32.32 66.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.817 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -72.06 -42.27 66.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.259 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 28.4 pt -70.91 -35.5 60.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.569 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 65.4 m -64.37 -52.17 59.64 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.577 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 91.9 p -62.77 -32.45 73.61 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.178 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -60.0 -50.45 73.67 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.809 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 mm -67.05 -44.26 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.042 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.5 -26.79 68.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.476 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 47.5 t -75.36 -44.76 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.536 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.91 87.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.42 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 44.1 mt -74.5 -23.26 58.82 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.522 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -66.59 -49.81 65.11 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.267 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.93 -23.68 55.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.772 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.36 -60.24 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.317 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.92 93.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.132 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 67.8 t90 -63.16 -40.7 98.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.694 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 17.4 m -65.81 -43.01 89.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.037 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.27 -44.08 97.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.5 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.86 99.74 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -61.2 -41.84 97.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.814 0.34 . . . . 0.0 110.662 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.748 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 120.51 0.195 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.83 -40.88 0.83 Allowed 'Trans proline' 0 N--CA 1.49 1.302 0 C-N-CA 122.717 2.278 . . . . 0.0 112.228 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.78 -75.95 0.17 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.58 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -147.46 162.93 38.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.625 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 25.3 pt -59.04 -32.37 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.101 0.477 . . . . 0.0 110.562 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 38.8 mt -72.53 -32.29 66.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.884 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 35.3 t -71.98 -42.1 66.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.32 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 28.4 pt -71.07 -35.28 58.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.693 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 65.8 m -64.43 -52.54 57.54 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.527 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 91.9 p -62.46 -32.42 73.29 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.151 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -60.08 -50.32 74.17 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.794 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 10.5 mm -67.07 -44.52 88.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.911 0.386 . . . . 0.0 110.974 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.19 -27.11 69.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.533 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 47.4 t -75.15 -44.69 45.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.587 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.85 87.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.478 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 43.7 mt -74.52 -23.36 58.81 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.55 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -66.39 -50.09 64.65 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.64 -23.63 56.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.48 -60.33 2.33 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.306 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.94 94.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.214 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 67.8 t90 -63.05 -41.04 99.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.584 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 17.5 m -65.41 -43.21 91.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.008 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.2 -44.22 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.416 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.34 -42.04 99.73 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -60.99 -42.01 97.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.847 0.356 . . . . 0.0 110.709 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.682 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 120.447 0.165 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -71.02 -45.33 0.94 Allowed 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.46 2.107 . . . . 0.0 112.406 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -140.72 -69.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.454 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.76 164.51 31.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.487 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -51.87 -35.8 18.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.728 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.11 -34.14 77.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -70.91 -40.46 72.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.703 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.73 -48.73 87.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.0 m -61.93 -50.93 70.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.523 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.1 t -54.4 -43.31 71.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.242 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -58.27 -48.6 79.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.011 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.1 mm -63.25 -44.24 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.008 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.29 -33.48 75.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.746 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.6 m -72.32 -49.22 36.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.047 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.64 95.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.021 0.439 . . . . 0.0 110.437 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.04 -40.64 78.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.073 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.23 -42.85 96.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.033 0.444 . . . . 0.0 111.429 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.99 -32.91 61.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.333 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.12 -53.96 11.18 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.57 -43.98 96.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.556 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -70.95 -29.87 66.0 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 119.664 -0.815 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -63.85 -54.83 28.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.886 0.374 . . . . 0.0 110.617 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.51 -41.51 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.501 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.24 -39.77 98.13 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -66.28 -39.64 89.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.763 0.316 . . . . 0.0 111.089 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.701 -179.686 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.437 0.16 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.07 -45.33 0.93 Allowed 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.476 2.117 . . . . 0.0 112.419 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -140.68 -69.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.458 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.73 164.56 31.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.565 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -52.03 -35.67 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.797 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.33 -33.81 76.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.637 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 58.7 m -71.17 -40.27 71.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.823 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.92 -48.72 87.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.697 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 92.6 m -61.98 -50.87 70.37 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.527 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 36.9 t -54.48 -42.96 71.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.364 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -58.5 -48.5 80.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 15.3 mm -63.38 -44.15 98.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.046 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.45 -32.96 74.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -72.8 -48.95 33.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.144 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.58 95.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.441 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.01 -40.54 78.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.182 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.46 -42.43 96.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.975 0.417 . . . . 0.0 111.46 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.45 -32.49 60.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.431 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.48 -53.79 11.09 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -43.98 96.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.593 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.401 ' CE3' ' HA ' ' B' ' 23' ' ' TRP . 8.0 m95 -71.29 -29.27 64.85 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.4 -54.46 32.38 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.741 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.73 -41.49 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.487 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.33 -39.4 97.7 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -66.59 -39.31 88.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.806 0.336 . . . . 0.0 111.17 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.666 -179.729 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 49.0 mp0 . . . . . 0 CA--C 1.531 0.215 0 CA-C-O 120.503 0.192 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -71.07 -45.4 0.91 Allowed 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.447 2.098 . . . . 0.0 112.446 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -140.67 -69.37 0.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.396 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.83 164.45 31.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.543 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -51.77 -35.77 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.753 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.13 -34.33 78.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.509 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -70.64 -40.73 72.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.663 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.63 -48.66 87.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.667 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 93.5 m -62.02 -50.79 70.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.515 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 37.3 t -54.47 -43.45 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.203 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -58.12 -48.7 79.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 15.1 mm -63.21 -44.06 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.016 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.42 -33.52 75.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.75 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -72.17 -49.39 36.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.013 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.72 95.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.349 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.01 -40.59 78.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -60.24 -42.91 96.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.014 0.435 . . . . 0.0 111.457 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -32.95 61.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.265 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.14 -53.86 11.45 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.15 96.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.476 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . 0.4 ' HA ' ' CE3' ' C' ' 23' ' ' TRP . 8.1 m95 -70.93 -30.01 66.2 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.029 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -63.69 -54.87 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.684 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 74.2 mt -61.55 -41.34 89.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.489 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.31 -39.88 98.3 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -66.04 -39.84 90.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 111.179 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.683 -179.609 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 49.0 mp0 . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 120.476 0.179 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.0 -45.37 0.93 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.406 2.071 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -140.6 -69.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.499 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.73 164.52 31.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.481 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -51.75 -36.15 18.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.715 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.93 -34.33 78.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.498 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -70.57 -40.49 73.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.807 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.75 -48.68 87.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.706 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.02 -50.99 69.85 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.444 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t -54.32 -43.34 71.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.208 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -58.19 -48.5 80.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 15.0 mm -63.26 -44.35 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.934 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.15 -33.75 76.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.733 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -71.98 -49.27 38.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.074 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.68 95.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.36 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -68.97 -40.79 78.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.051 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -60.02 -43.09 95.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.04 0.448 . . . . 0.0 111.388 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.88 -32.69 61.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.346 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.18 -53.87 11.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.14 96.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.436 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -70.9 -29.93 66.14 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 119.654 -0.818 . . . . 0.0 111.115 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -63.7 -54.89 28.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.937 0.399 . . . . 0.0 110.68 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.37 -41.54 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.513 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.21 -40.1 98.54 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -65.79 -39.89 91.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 111.092 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.622 -179.563 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.25 0 CA-C-O 120.517 0.199 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -71.89 -43.79 1.14 Allowed 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.69 2.26 . . . . 0.0 112.103 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -143.09 -85.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.371 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -152.28 160.75 43.29 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.865 0.364 . . . . 0.0 110.349 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 pt -58.75 -34.86 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.407 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.2 -34.03 68.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.673 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.1 t -70.4 -43.63 69.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.726 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.3 mt -63.64 -46.8 93.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.712 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 t -58.97 -51.08 71.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.898 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.0 p -61.11 -39.12 88.77 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.579 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -56.91 -56.0 27.25 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.168 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.25 -40.12 87.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.327 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -64.19 -28.26 69.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.631 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.7 m -73.9 -45.17 52.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.625 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.68 -51.41 70.08 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.261 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.53 -25.53 64.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.819 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -63.22 -52.3 62.77 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.227 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -21.93 60.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.511 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -57.49 5.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.993 0.425 . . . . 0.0 111.063 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.9 -39.72 93.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.016 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -62.03 -41.51 98.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.557 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.3 p -67.67 -37.73 82.77 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.701 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.66 -45.2 99.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.603 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.16 -42.1 99.52 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -60.42 -42.48 96.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 110.666 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.656 -179.803 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 120.489 0.185 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.82 -44.0 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.681 2.254 . . . . 0.0 112.063 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -142.94 -85.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.408 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -152.1 161.02 43.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.961 0.41 . . . . 0.0 110.313 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.3 pt -59.0 -34.92 54.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.27 -33.8 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.707 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 42.8 t -70.58 -43.45 69.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.779 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.61 -46.81 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.799 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.13 -51.02 71.82 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.932 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 80.9 p -61.14 -38.81 87.72 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.655 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -57.18 -55.84 29.59 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.258 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.31 -40.17 88.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.863 0.363 . . . . 0.0 110.451 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -64.19 -28.23 69.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.608 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.5 m -74.0 -44.97 52.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.647 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.77 -51.29 70.61 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.299 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.75 -25.49 63.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.888 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -63.17 -52.29 62.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.184 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.19 -21.76 60.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.485 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -57.67 4.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.058 0.456 . . . . 0.0 111.034 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.54 93.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -62.11 -41.32 98.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.625 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -67.84 -37.7 82.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.764 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 81.9 mt -62.55 -45.32 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.624 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.09 99.62 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -60.28 -42.35 95.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.756 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 87.8 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.686 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.532 0.206 . . . . 0.0 110.78 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -71.78 -44.06 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.703 2.268 . . . . 0.0 112.129 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -142.88 -85.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.337 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -152.05 161.05 43.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.944 0.402 . . . . 0.0 110.301 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 19.3 pt -59.03 -34.97 54.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.322 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 90.2 mt -72.11 -33.98 68.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.625 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 42.3 t -70.48 -43.57 69.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.682 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.53 -46.83 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.784 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 24.0 t -59.01 -51.2 71.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.93 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -60.85 -39.25 88.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.636 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -56.78 -56.09 26.02 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.225 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.19 -40.21 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.367 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.99 -28.52 69.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.58 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 67.8 m -73.8 -45.18 53.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.563 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.43 -51.46 69.73 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.269 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.47 -26.0 64.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -62.98 -52.31 63.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.033 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -21.94 60.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -57.65 5.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.001 0.429 . . . . 0.0 111.021 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.57 93.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.122 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -61.99 -41.65 98.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.584 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 17.7 p -67.44 -37.84 83.62 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.77 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -62.47 -45.32 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.574 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.04 -42.36 99.64 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -60.18 -42.59 95.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.769 0.319 . . . . 0.0 110.649 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.688 -179.777 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.312 0 CA-C-O 120.578 0.228 . . . . 0.0 110.733 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -71.92 -43.86 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.703 2.268 . . . . 0.0 112.114 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -143.06 -85.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.366 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -152.03 161.03 43.27 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.371 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 pt -59.0 -34.98 54.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.33 -33.72 67.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.629 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 41.2 t -70.6 -43.43 69.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.814 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.78 -46.74 93.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.805 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 24.1 t -59.03 -51.12 71.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.955 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -61.12 -38.84 87.78 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.667 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -57.2 -55.73 30.95 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.303 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.42 -40.25 88.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.412 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.01 -28.16 69.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.662 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -74.11 -44.91 52.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.654 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.72 -51.62 69.2 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.218 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.25 -25.78 64.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.934 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -63.05 -52.29 63.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.182 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.19 -21.7 60.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.462 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.41 -57.64 5.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.07 0.462 . . . . 0.0 111.064 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.91 -39.56 93.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.046 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -62.1 -41.33 98.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.652 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -67.88 -37.62 82.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.71 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.59 -45.35 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.624 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.03 -42.18 99.69 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -60.46 -42.16 95.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.765 0.317 . . . . 0.0 110.796 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 110.688 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 110.536 -0.172 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.37 -38.44 1.98 Allowed 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.335 2.024 . . . . 0.0 112.491 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.73 -84.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.251 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -148.71 161.43 41.78 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.854 0.359 . . . . 0.0 110.366 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.4 mm -64.07 -42.62 96.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.476 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.23 -35.29 76.0 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.744 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.7 p -69.52 -42.27 74.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.356 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mm -65.19 -41.68 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.632 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.9 m -59.39 -50.13 75.15 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.766 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.8 t -59.8 -40.3 87.88 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.76 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -60.45 -51.61 68.75 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.082 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.6 tt -66.01 -31.56 54.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.251 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.11 -63.47 1.24 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.4 p -52.3 -36.87 54.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.887 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.34 -47.35 86.31 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.174 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.09 -36.21 83.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.652 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -37.55 85.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.436 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.86 -36.17 62.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.907 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.1 mtt -72.05 -52.66 15.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.911 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.66 -42.43 98.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.118 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -74.01 -27.54 61.01 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.566 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.83 -55.79 17.4 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.647 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.05 -43.21 92.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.36 -36.51 92.6 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -72.83 -36.2 67.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.913 0.387 . . . . 0.0 111.149 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 -179.523 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 . . . . . 0 CA--C 1.534 0.328 0 N-CA-C 110.485 -0.191 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.31 -38.47 2.0 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.375 2.05 . . . . 0.0 112.599 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.71 -84.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.341 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -148.68 161.52 41.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.781 0.324 . . . . 0.0 110.385 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 21.1 mm -64.17 -42.76 96.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.365 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.1 -35.44 76.47 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.736 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 88.4 p -69.34 -42.44 75.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.245 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 4.2 mm -65.04 -41.64 92.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.679 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 96.7 m -59.48 -50.14 75.07 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.379 -0.529 . . . . 0.0 109.762 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.7 t -59.75 -40.3 87.67 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.727 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -60.37 -51.74 68.2 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.09 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 18.6 tt -65.83 -31.6 54.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.335 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.6 mt -61.99 -63.95 1.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 88.8 p -51.73 -37.11 49.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.902 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.41 86.24 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.17 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.01 -36.25 83.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -37.74 85.59 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.405 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.56 -36.39 63.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.801 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 59.1 mtt -71.93 -52.52 16.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.909 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.78 99.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.038 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -73.76 -27.8 61.35 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.634 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.58 -56.11 16.08 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.871 0.367 . . . . 0.0 110.468 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.84 -43.23 93.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.25 -36.78 92.94 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -72.45 -36.63 68.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.945 0.402 . . . . 0.0 111.109 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.875 -179.461 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 110.577 -0.157 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.13 -38.6 2.05 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.386 2.058 . . . . 0.0 112.627 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -148.66 -84.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.328 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -148.63 161.56 41.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.777 0.322 . . . . 0.0 110.405 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 mm -64.17 -42.76 96.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.345 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.16 -35.4 76.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.733 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 88.6 p -69.3 -42.4 75.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.328 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mm -65.17 -41.56 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 96.5 m -59.46 -50.12 75.15 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.388 -0.525 . . . . 0.0 109.809 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 47.7 t -59.8 -40.27 87.75 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.714 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -60.4 -51.76 68.11 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.06 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 18.7 tt -65.81 -31.54 54.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.328 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.1 -63.66 1.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 88.5 p -52.14 -36.89 52.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.37 86.44 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.23 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.04 -36.44 84.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.658 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.44 -37.69 85.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.419 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.57 -36.39 63.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.984 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 59.2 mtt -71.95 -52.42 17.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.944 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.63 99.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.088 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 24.0 m95 -73.8 -27.69 61.26 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.536 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.66 -56.06 16.19 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.568 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . 0.403 HG22 HD11 ' C' ' 25' ' ' ILE . 96.7 mt -65.75 -43.35 93.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.16 -36.79 92.91 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -72.43 -36.62 68.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.928 0.394 . . . . 0.0 111.099 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.822 -179.419 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.58 -38.9 2.21 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.467 2.111 . . . . 0.0 112.545 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.59 -84.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.337 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -148.52 161.51 41.51 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.841 0.353 . . . . 0.0 110.378 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 mm -64.2 -42.62 96.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.387 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.23 -35.32 76.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.751 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 88.5 p -69.42 -42.41 75.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.29 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 4.2 mm -65.08 -41.66 92.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 95.8 m -59.44 -50.14 75.07 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.421 -0.512 . . . . 0.0 109.761 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 47.8 t -59.86 -40.21 87.85 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.775 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.38 -51.65 68.58 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.093 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 18.7 tt -66.12 -31.16 52.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.287 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 18.8 mt -63.4 -60.88 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.458 -0.497 . . . . 0.0 109.877 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 88.0 p -54.01 -36.65 63.21 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.745 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.38 86.27 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.139 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.06 -36.3 83.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.719 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -37.55 85.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.388 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -36.18 62.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.879 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 59.3 mtt -72.13 -52.61 15.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.869 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.66 99.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.088 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -73.85 -27.58 61.16 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.516 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.84 -55.9 16.75 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.606 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . 0.415 HG22 HD11 ' D' ' 25' ' ' ILE . 96.4 mt -66.04 -43.2 92.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.37 -36.45 92.52 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -72.81 -36.29 67.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.867 0.365 . . . . 0.0 111.076 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.78 -179.506 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 120.651 0.263 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -54.76 -39.71 88.22 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.774 2.316 . . . . 0.0 112.11 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.47 -71.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.474 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -151.32 160.0 44.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.516 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.91 -33.51 49.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.547 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.67 -68.26 0.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.46 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.1 p -47.69 -32.37 5.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.172 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.0 mt -70.12 -46.88 70.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 121.11 0.481 . . . . 0.0 111.015 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.1 m -60.78 -48.15 83.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.18 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.8 m -64.52 -30.42 71.45 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.462 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.21 -49.71 76.06 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 120.954 0.407 . . . . 0.0 110.563 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.3 mt -66.53 -41.52 88.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.853 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.05 -64.23 1.02 Allowed 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.189 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.6 t -44.19 -38.81 3.96 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.87 -58.07 9.98 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.311 0.577 . . . . 0.0 110.624 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.22 -19.17 65.85 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.909 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -69.66 -47.96 61.48 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.36 -22.92 57.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.267 0.354 . . . . 0.0 110.777 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 34.4 mmt -71.21 -60.73 2.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.074 0.464 . . . . 0.0 111.29 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.3 90.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.918 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -62.21 -40.85 97.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.452 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.7 m -64.66 -41.87 95.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.794 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.7 -45.25 97.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.535 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.51 -43.34 99.16 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -56.84 -44.54 82.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.638 0.256 . . . . 0.0 110.376 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.722 179.718 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.73 0.3 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -54.71 -39.53 88.84 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.705 2.27 . . . . 0.0 112.151 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.72 -71.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.529 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -151.2 159.76 44.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.61 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.407 HG22 HD13 ' B' ' 7' ' ' ILE . 91.0 mt -58.72 -33.65 49.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.469 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.37 -68.92 0.3 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.345 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 90.4 p -47.24 -32.36 4.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.202 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 71.8 mt -70.21 -46.87 70.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.96 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 94.5 m -60.81 -48.24 82.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.107 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.0 m -64.32 -30.52 71.56 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.407 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -61.04 -49.79 75.95 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.033 0.444 . . . . 0.0 110.624 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.6 mt -66.49 -41.73 89.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.828 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.84 -64.43 0.96 Allowed 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.209 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 39.3 t -44.05 -38.76 3.74 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.0 -57.86 10.95 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.21 0.529 . . . . 0.0 110.56 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.53 -19.11 65.79 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.793 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -69.7 -47.9 61.51 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.21 -22.99 57.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.745 0.307 . . . . 0.0 110.925 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 34.4 mmt -71.46 -60.75 2.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.025 0.44 . . . . 0.0 111.249 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.34 91.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.971 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -62.21 -41.06 98.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.527 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 17.8 m -64.62 -41.87 95.89 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.708 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.53 -45.35 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.528 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.34 -43.66 98.76 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -56.66 -44.54 81.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.633 0.254 . . . . 0.0 110.32 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.79 179.728 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.723 0.297 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -54.98 -39.33 91.34 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.766 2.311 . . . . 0.0 112.12 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.9 -71.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.534 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -150.98 159.92 44.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . 0.4 HD13 HG22 ' C' ' 7' ' ' ILE . 92.2 mt -58.93 -33.31 49.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.064 0.459 . . . . 0.0 110.644 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.74 -68.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.429 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 89.6 p -47.52 -32.35 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.142 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 71.5 mt -70.27 -46.8 70.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.016 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 88.4 m -60.92 -48.25 82.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.132 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 64.1 m -64.25 -30.6 71.65 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.408 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -60.95 -49.82 75.92 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.016 0.436 . . . . 0.0 110.596 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.45 -41.82 89.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.824 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.82 -64.22 1.03 Allowed 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.189 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 39.4 t -44.23 -38.8 4.02 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.87 -57.78 11.28 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.233 0.54 . . . . 0.0 110.596 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.64 -19.15 65.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.838 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -69.63 -47.92 61.77 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.27 -23.09 57.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 34.3 mmt -71.15 -60.61 2.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.047 0.451 . . . . 0.0 111.44 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.13 90.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.941 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -62.15 -41.12 97.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.469 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 17.7 m -64.53 -41.93 96.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.67 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.47 -45.49 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.579 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.34 -43.85 98.49 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -56.21 -44.78 79.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.736 0.303 . . . . 0.0 110.363 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.794 179.727 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.672 0.272 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -54.88 -39.89 88.03 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.74 2.293 . . . . 0.0 112.093 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.29 -71.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.495 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -151.37 160.02 43.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.511 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 90.7 mt -59.02 -32.74 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.435 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.24 -63.98 0.96 Allowed 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.555 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 90.3 p -50.14 -32.18 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 71.4 mt -70.29 -47.11 68.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.002 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 88.3 m -60.74 -47.74 84.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.23 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 61.4 m -64.79 -30.58 71.6 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.461 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -61.02 -49.72 76.29 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 120.956 0.408 . . . . 0.0 110.619 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.53 -41.37 88.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.746 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.38 -61.27 2.56 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.256 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 40.5 t -46.22 -38.47 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.94 -57.55 12.32 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.339 0.59 . . . . 0.0 110.657 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.86 -19.13 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.929 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -69.83 -47.45 62.69 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -22.96 55.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.697 0.284 . . . . 0.0 110.82 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 34.3 mmt -71.19 -60.2 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.018 0.437 . . . . 0.0 111.332 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.57 -40.23 88.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.993 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -62.18 -40.45 96.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.486 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 17.8 m -65.13 -41.68 94.62 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.753 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.91 -45.13 98.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.48 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.56 -43.35 99.13 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -56.97 -44.36 82.54 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.791 179.593 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 120.394 0.14 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -75.96 -53.34 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.562 2.175 . . . . 0.0 112.116 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -131.57 -82.55 0.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.413 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -154.05 161.88 41.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.442 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.4 pt -56.31 -32.45 35.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.4 tp -71.45 -34.43 70.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.531 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.7 m -70.97 -42.17 70.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.875 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.77 -45.2 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.802 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.9 m -59.56 -50.72 72.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.195 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -60.38 -38.36 83.66 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.56 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -57.36 12.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.183 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.3 pt -63.89 -40.18 88.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.08 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.72 -28.4 69.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.108 0.48 . . . . 0.0 110.303 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.6 m -74.07 -44.71 53.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.665 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.1 90.34 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.985 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 tp -73.0 -27.21 61.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.764 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -63.78 -51.5 64.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.47 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -24.19 56.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.561 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.1 mtt -70.29 -59.75 2.69 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.193 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.07 -38.76 92.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.918 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -66.29 -41.52 89.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -63.94 -51.15 65.75 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.526 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 26' ' ' GLY . 34.3 pt -58.57 -40.94 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.383 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.422 ' N ' HG13 ' A' ' 25' ' ' ILE . . . -64.3 -42.95 97.59 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -59.04 -43.58 91.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.73 0.3 . . . . 0.0 110.641 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.547 -179.689 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 110.659 -0.126 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.24 -53.15 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 122.53 2.153 . . . . 0.0 112.182 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.78 -82.48 0.51 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.408 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -154.24 161.71 41.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.421 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 pt -56.13 -32.47 34.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.339 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 29.0 tp -71.39 -34.62 70.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.532 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 71.9 m -70.84 -42.32 70.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.81 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.46 -45.38 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.767 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 96.0 m -59.6 -50.61 73.19 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.221 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.1 m -60.43 -38.44 84.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.508 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.34 -57.63 11.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.091 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 23.2 pt -63.62 -40.12 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.956 0.408 . . . . 0.0 111.142 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 63.8 mt -64.8 -28.36 69.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.125 0.488 . . . . 0.0 110.284 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 68.9 m -74.05 -44.82 52.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.654 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.2 89.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.939 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 28.2 tp -72.9 -27.22 61.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -63.77 -51.5 64.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.54 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.46 -24.39 56.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.539 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 30.2 mtt -70.22 -59.65 2.75 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.594 -0.443 . . . . 0.0 111.244 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.7 91.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.867 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -66.28 -41.5 89.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.052 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -63.96 -51.25 65.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.448 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.427 HG13 ' N ' ' B' ' 26' ' ' GLY . 34.3 pt -58.47 -40.97 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.439 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . 0.427 ' N ' HG13 ' B' ' 25' ' ' ILE . . . -64.28 -43.1 97.45 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -59.04 -43.68 91.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.731 0.3 . . . . 0.0 110.598 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.429 -179.65 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 120.332 0.111 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -76.03 -53.23 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 122.518 2.145 . . . . 0.0 112.119 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -131.7 -82.53 0.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.457 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -154.01 161.9 41.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.468 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 pt -56.27 -32.48 35.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 29.2 tp -71.47 -34.43 70.19 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.469 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 71.9 m -70.99 -42.15 70.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.915 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.65 -45.27 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 96.4 m -59.54 -50.7 72.88 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.241 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.6 m -60.49 -38.18 83.47 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.51 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.5 -57.36 12.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.171 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 22.8 pt -63.89 -40.3 88.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.064 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 63.4 mt -64.61 -28.37 69.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.208 0.527 . . . . 0.0 110.323 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -73.95 -44.79 53.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.696 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.92 91.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.03 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 tp -73.06 -27.18 61.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.741 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -63.78 -51.65 63.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.508 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -24.25 57.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.545 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 30.1 mtt -70.33 -59.68 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.218 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.06 -38.88 92.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -66.12 -41.58 90.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.053 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 16.5 m -63.95 -51.2 65.5 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.446 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . 0.414 HG13 ' N ' ' C' ' 26' ' ' GLY . 34.6 pt -58.51 -41.11 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.375 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . 0.414 ' N ' HG13 ' C' ' 25' ' ' ILE . . . -64.19 -43.09 97.59 Favored Glycine 0 C--N 1.332 0.355 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -58.97 -43.6 91.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.776 0.322 . . . . 0.0 110.668 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.508 -179.736 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 . . . . . 0 CA--C 1.533 0.312 0 CA-C-O 120.394 0.14 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -74.41 -54.13 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.397 0 C-N-CA 122.612 2.208 . . . . 0.0 112.165 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.41 -82.47 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.425 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -154.14 161.89 41.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.54 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 30.6 pt -56.3 -32.49 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.312 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 29.1 tp -71.35 -34.62 70.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.443 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 72.5 m -70.86 -42.22 70.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.827 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.7 -45.23 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.737 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 95.6 m -59.52 -50.83 72.39 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.195 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 71.3 m -60.23 -38.45 83.47 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.499 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -57.5 11.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.067 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 22.9 pt -63.77 -40.19 88.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 120.916 0.389 . . . . 0.0 111.063 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 63.3 mt -64.77 -28.38 69.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.131 0.491 . . . . 0.0 110.242 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 68.6 m -73.75 -45.03 54.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.696 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.18 89.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.052 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 tp -72.87 -27.27 61.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.785 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -63.7 -51.7 63.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.473 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -24.35 57.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.551 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 30.1 mtt -70.15 -59.59 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.516 -0.473 . . . . 0.0 111.202 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.94 92.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.86 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -66.2 -41.58 89.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -63.8 -51.36 65.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.457 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . 0.43 HG13 ' N ' ' D' ' 26' ' ' GLY . 34.5 pt -58.32 -41.11 80.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.451 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . 0.43 ' N ' HG13 ' D' ' 25' ' ' ILE . . . -64.17 -43.15 97.53 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -58.83 -43.85 90.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.746 0.308 . . . . 0.0 110.662 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.514 -179.624 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.545 0.212 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.07 -39.78 88.51 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.623 2.215 . . . . 0.0 112.049 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -143.1 -81.73 0.19 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.632 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -149.16 168.06 24.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.03 -41.35 85.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.633 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.38 -35.24 80.24 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.638 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -70.78 -41.33 71.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.795 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mm -64.64 -44.01 96.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.997 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m -60.5 -50.98 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.379 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -58.66 -38.17 77.58 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.366 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -50.93 71.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.079 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.2 -41.14 91.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.599 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.39 -63.18 1.37 Allowed 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.942 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.0 m -45.48 -40.53 8.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.226 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.73 -61.39 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.413 . . . . 0.0 110.6 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.71 -19.48 63.95 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.086 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.44 -49.42 55.18 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.026 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -23.53 59.74 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.974 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 80.3 mmm -69.48 -55.41 10.33 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.588 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.24 -38.68 82.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.16 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -62.88 -40.25 96.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.583 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -68.2 -39.17 82.52 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.813 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.8 mt -62.61 -46.39 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.641 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.42 99.9 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.28 -44.12 83.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.746 0.308 . . . . 0.0 110.393 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.481 179.771 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 . . . . . 0 CA--C 1.53 0.174 0 CA-C-O 120.581 0.229 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -57.14 -39.68 88.83 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 122.597 2.198 . . . . 0.0 112.07 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -143.12 -81.93 0.19 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.642 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -149.06 168.0 24.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.509 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.01 -41.23 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.645 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.46 -35.25 80.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.633 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 75.2 m -70.76 -41.33 71.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.848 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mm -64.55 -44.08 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.021 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 82.9 m -60.54 -51.02 71.23 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.295 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 58.5 m -58.66 -38.13 77.48 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.415 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.2 -50.82 72.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.227 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.29 -41.19 91.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.532 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.22 -63.5 1.27 Allowed 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -45.22 -40.51 7.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.262 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.65 -61.72 2.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.975 0.416 . . . . 0.0 110.572 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.45 -19.45 63.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.124 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.48 -49.31 55.94 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.108 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.87 -23.35 59.59 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.965 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 80.3 mmm -69.59 -55.48 9.98 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.556 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.88 83.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.257 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -62.92 -40.14 96.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.54 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -68.25 -39.14 82.33 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.84 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 79.8 mt -62.69 -46.43 96.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.591 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.95 -41.34 99.91 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.35 -44.05 83.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.786 0.327 . . . . 0.0 110.42 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.471 179.737 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.539 0.209 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -57.18 -39.81 87.66 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 122.654 2.236 . . . . 0.0 112.074 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -142.98 -81.66 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.637 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -149.39 167.94 24.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.538 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.02 -41.17 85.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.693 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.44 -35.34 80.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.628 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -70.69 -41.37 72.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.763 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 6.1 mm -64.56 -44.04 96.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.983 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 82.4 m -60.54 -50.9 71.71 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.303 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -58.74 -38.25 77.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.384 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -51.03 71.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.104 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 87.5 mt -64.2 -41.06 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.563 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.44 -63.02 1.42 Allowed 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 69.6 m -45.45 -40.82 8.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.203 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.56 -61.43 2.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.97 0.415 . . . . 0.0 110.657 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.73 -19.23 63.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.086 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.74 -49.27 54.72 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.057 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.7 -23.73 59.84 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.916 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 80.4 mmm -69.35 -55.45 10.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.037 0.446 . . . . 0.0 111.558 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.17 -38.64 82.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.208 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -62.95 -40.28 97.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.518 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 17.7 p -68.14 -39.25 82.72 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.821 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.61 -46.26 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.636 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.09 -41.44 99.78 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.671 -0.971 . . . . 0.0 110.671 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -57.34 -44.2 84.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.678 0.275 . . . . 0.0 110.388 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.442 179.799 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 . . . . . 0 CA--C 1.531 0.231 0 CA-C-O 120.506 0.193 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -57.16 -39.84 87.51 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.651 2.234 . . . . 0.0 112.034 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -143.02 -81.59 0.19 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.664 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -149.37 167.93 24.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.481 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 81.7 mt -59.94 -41.38 85.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.649 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.32 -35.36 80.61 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.58 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 75.8 m -70.68 -41.29 72.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.845 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mm -64.5 -44.07 96.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.986 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 83.9 m -60.55 -51.03 71.14 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.25 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 59.0 m -58.56 -38.36 77.68 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.38 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -50.94 71.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.2 -41.08 91.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.496 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.45 -60.41 3.59 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.126 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -47.2 -40.6 16.46 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.85 -60.6 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.659 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.38 -19.32 64.56 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.12 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.53 -49.64 52.53 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.868 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.49 -23.79 60.09 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.928 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 80.1 mmm -69.42 -55.41 10.41 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.535 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.17 -38.71 82.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.193 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -62.83 -40.43 97.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.436 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 17.6 p -68.03 -39.2 83.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.781 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.65 -46.32 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.595 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.65 99.85 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.09 -44.39 83.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.729 0.3 . . . . 0.0 110.356 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.473 179.827 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -59.94 -48.81 80.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.627 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -75.69 159.2 81.89 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.859 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -51.78 -37.16 64.85 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.573 2.182 . . . . 0.0 111.979 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.69 -71.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.298 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -160.87 160.52 31.12 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.61 -41.95 92.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.925 0.393 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.4 mt -68.55 -34.52 75.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -71.41 -43.5 66.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.238 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.65 -45.25 92.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.0 m -60.79 -51.05 70.99 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.586 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -59.83 -38.06 80.97 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.571 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -59.75 -50.12 75.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.0 mt -67.46 -41.55 86.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.764 0.316 . . . . 0.0 110.971 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.7 -24.94 67.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.686 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.6 p -82.74 -41.37 19.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.766 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.59 -48.43 81.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.039 0.447 . . . . 0.0 110.196 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.9 -41.26 78.46 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.329 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -52.68 -44.34 66.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.469 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -25.87 53.45 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.326 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.1 mtt -71.02 -59.93 2.51 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.664 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.92 97.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 32.4 t90 -63.43 -37.85 88.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.807 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.7 m -66.82 -43.35 84.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.313 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.24 -42.94 97.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.873 0.368 . . . . 0.0 110.446 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.64 -39.54 98.03 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -69.28 -38.96 78.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.791 0.329 . . . . 0.0 111.2 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.65 141.78 57.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.777 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -136.95 136.07 38.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.489 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -100.22 127.73 46.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.574 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.7 pt -137.38 147.66 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.607 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -127.43 100.17 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.547 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.505 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.91 -48.78 80.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.718 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 59.6 mp0 -75.81 159.27 81.47 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.928 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -51.72 -37.34 64.52 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.637 2.225 . . . . 0.0 111.929 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.57 -71.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.365 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -160.76 160.61 31.5 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.67 -42.21 93.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.85 0.357 . . . . 0.0 110.753 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 64.1 mt -68.03 -35.09 77.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.942 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.6 t -70.94 -43.69 67.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.142 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 85.7 mt -65.43 -45.28 93.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 94.6 m -60.7 -51.2 70.38 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.549 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.7 m -59.63 -38.31 81.02 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.477 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.56 -50.24 74.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.1 mt -67.19 -41.78 87.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.003 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.34 -25.5 68.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.592 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 59.6 p -82.06 -41.89 19.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.699 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.27 -48.57 81.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.189 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.61 -41.29 79.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.366 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -52.62 -44.94 66.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.396 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -26.34 56.22 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.292 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 46.5 mtt -70.73 -59.91 2.55 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.724 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.01 -41.86 97.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.78 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -63.33 -38.52 91.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.715 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 8.2 m -66.15 -43.88 85.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.31 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.84 -42.84 96.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.396 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.66 -40.01 98.62 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -68.62 -39.84 80.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 111.15 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.95 142.01 58.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.735 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -137.17 136.17 37.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.498 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -100.18 127.66 46.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.581 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 46.8 pt -137.31 147.96 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -127.78 100.25 5.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.564 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.531 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -59.96 -48.91 79.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.633 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 59.6 mp0 -75.67 159.23 81.86 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -51.71 -37.0 63.77 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.555 2.17 . . . . 0.0 112.055 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.9 -71.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.442 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -161.18 160.7 30.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.096 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.73 -42.52 94.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.875 0.369 . . . . 0.0 110.762 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 63.4 mt -67.73 -35.37 78.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 46.7 t -70.74 -43.67 68.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.1 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 85.5 mt -65.5 -45.13 93.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 93.9 m -60.89 -51.2 70.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.574 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.7 m -59.45 -38.48 80.85 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.458 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -59.4 -50.25 74.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 94.7 mt -67.13 -42.02 87.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.033 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.05 -25.86 68.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.587 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 59.6 p -81.57 -42.04 20.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.731 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.75 80.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.139 0.495 . . . . 0.0 110.152 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.46 -41.45 80.17 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.284 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -52.3 -45.29 65.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.374 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -26.23 56.43 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.265 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 46.3 mtt -70.78 -60.04 2.47 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.686 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.89 97.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.821 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -63.12 -38.76 92.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.712 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 8.1 m -66.05 -44.09 85.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.288 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.58 -43.0 96.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.414 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.45 -40.31 98.91 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -68.23 -40.09 82.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 111.148 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.62 142.16 58.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.717 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -137.35 136.23 37.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.468 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -100.39 127.62 46.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.582 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 46.8 pt -137.34 147.58 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.576 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -127.39 100.35 6.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.514 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.507 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.9 -48.94 79.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.653 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -75.61 159.3 81.83 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.92 -36.87 65.62 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.64 2.227 . . . . 0.0 111.985 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.04 -71.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.344 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -161.23 160.69 30.27 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.69 -42.37 94.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.785 0.326 . . . . 0.0 110.748 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 63.9 mt -68.02 -34.87 77.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -71.28 -43.42 67.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.141 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 85.0 mt -65.7 -45.05 93.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 92.0 m -60.96 -51.23 70.14 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.496 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 74.4 m -59.65 -38.09 80.47 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.5 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.74 -50.0 75.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.984 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 94.2 mt -67.44 -41.64 86.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.862 0.363 . . . . 0.0 111.035 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 45.2 mt -64.44 -25.43 68.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.666 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 63.7 p -82.17 -41.61 20.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.643 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.43 81.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.126 0.489 . . . . 0.0 110.193 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -68.77 -41.48 78.76 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.228 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -52.35 -44.92 65.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.457 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.41 -25.98 55.06 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.263 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 46.0 mtt -70.97 -60.04 2.45 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.683 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.79 97.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -63.18 -38.36 90.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.757 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 7.8 m -66.44 -43.71 84.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.273 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.02 -42.97 96.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.415 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.48 -39.91 98.42 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -68.67 -39.63 80.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 111.063 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.07 141.98 57.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -137.22 136.08 37.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.504 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -100.17 127.69 46.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.536 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 pt -137.5 146.56 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.699 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt -125.9 100.27 6.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.77 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.513 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -99.24 119.74 38.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.514 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -74.7 157.93 85.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.591 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -50.62 -42.52 49.59 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.549 2.166 . . . . 0.0 112.079 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -157.45 -58.4 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.486 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -172.52 170.02 4.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.475 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.8 mp -59.08 -39.35 78.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.542 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.85 -32.57 73.83 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.42 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.5 m -74.59 -38.84 62.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.083 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.7 -46.76 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.728 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.0 m -62.04 -51.21 68.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.97 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.5 t -55.4 -40.23 71.16 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.355 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.7 -47.83 84.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.37 -43.18 97.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 121.094 0.473 . . . . 0.0 110.583 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.88 -28.23 69.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.418 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.9 m -73.59 -45.7 51.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.859 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.72 -51.86 67.81 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.134 0.492 . . . . 0.0 110.207 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.3 -39.61 89.45 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.057 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -49.6 -53.14 25.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.818 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -22.25 58.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.247 0.342 . . . . 0.0 111.002 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.7 mtp -70.92 -61.81 1.62 Allowed 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.425 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.23 -40.91 94.69 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.042 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 71.3 t90 -61.9 -42.89 99.61 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.669 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.6 m -63.73 -43.82 95.36 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.25 -45.77 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.356 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.09 -43.5 98.23 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.79 -43.21 76.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.828 0.347 . . . . 0.0 110.353 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.5 tp -85.24 138.77 32.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.635 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.37 118.15 21.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.339 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -114.25 121.09 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.442 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.4 mt -119.28 122.49 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.39 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -104.84 119.86 40.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.469 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.1 ptt-85 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.602 -179.923 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -99.19 119.51 37.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.816 0.341 . . . . 0.0 110.488 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -74.45 157.77 85.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.588 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -50.41 -42.58 47.87 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.507 2.138 . . . . 0.0 112.208 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -157.36 -58.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.546 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -172.35 169.99 5.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.395 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 2.8 mp -59.09 -39.3 78.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.549 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.77 -32.49 73.65 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.465 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 64.4 m -74.81 -38.76 62.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.147 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.71 -46.78 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.698 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.93 -51.13 69.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.1 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.8 t -55.63 -40.0 71.59 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.392 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.87 -47.74 84.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.603 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.3 -43.29 97.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.14 0.495 . . . . 0.0 110.658 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 63.4 mt -62.91 -28.05 69.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.281 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 73.0 m -73.67 -45.64 51.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.94 -51.89 67.78 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.176 0.512 . . . . 0.0 110.256 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.18 -39.66 89.9 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.023 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -49.51 -53.1 25.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.896 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -22.09 58.78 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 123.37 0.419 . . . . 0.0 111.052 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 3.7 mtp -71.04 -62.02 1.55 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.344 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.95 95.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.072 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 70.9 t90 -61.96 -42.82 99.55 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.731 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m -64.01 -43.43 95.64 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.928 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.49 -45.83 97.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.317 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.09 -43.29 98.43 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -43.05 77.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.375 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 50.7 tp -85.38 138.54 32.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.705 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -79.13 118.03 20.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.368 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -114.07 121.31 43.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.38 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 75.7 mt -119.6 122.43 68.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.343 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -104.83 120.0 40.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.507 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 ptt-85 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.626 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -99.19 119.82 38.51 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.595 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -74.71 157.79 85.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.577 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -50.4 -42.66 47.55 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.554 2.169 . . . . 0.0 112.159 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -157.29 -58.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -172.42 170.12 5.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.421 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -59.2 -39.31 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.569 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.65 -32.62 73.71 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.146 0.498 . . . . 0.0 110.486 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 63.0 m -74.81 -38.68 62.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.122 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.84 -46.57 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.687 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 85.0 m -62.12 -51.16 69.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.04 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 37.9 t -55.54 -40.2 71.56 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.278 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -59.64 -47.91 83.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.611 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.24 -43.24 97.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-O 121.084 0.469 . . . . 0.0 110.585 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 63.3 mt -63.02 -28.01 69.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.282 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 73.4 m -73.64 -45.75 50.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.779 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.76 -52.02 67.15 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.211 0.529 . . . . 0.0 110.2 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 74.2 mt -66.14 -39.62 89.97 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.069 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -49.57 -53.21 25.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.742 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -22.27 58.89 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 123.315 0.384 . . . . 0.0 111.086 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 3.6 mtp -70.98 -61.88 1.6 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.36 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.91 94.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.062 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -61.93 -42.97 99.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.651 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m -63.81 -43.63 95.67 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.33 -45.96 97.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.397 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.01 -43.43 98.2 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -43.18 76.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.807 0.337 . . . . 0.0 110.361 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 51.5 tp -85.27 138.72 32.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.67 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -79.33 118.25 21.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.864 0.364 . . . . 0.0 110.347 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -114.33 121.18 42.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.358 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 75.9 mt -119.5 122.41 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.342 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -104.77 119.93 40.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.446 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 ptt-85 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.631 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -99.15 119.94 38.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.588 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -74.9 157.98 85.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.585 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.61 -42.61 49.17 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.496 2.131 . . . . 0.0 112.121 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -157.32 -58.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.423 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -172.31 170.06 5.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.426 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -59.04 -39.31 78.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.551 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.89 -32.52 73.8 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.457 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 63.5 m -74.67 -38.92 62.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.139 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.8 -46.63 93.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 85.8 m -62.02 -51.1 69.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.01 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -55.6 -40.1 71.63 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.411 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.87 -47.75 84.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.29 -43.19 97.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.08 0.467 . . . . 0.0 110.596 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 64.5 mt -63.12 -27.93 69.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -73.91 -45.57 49.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.765 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.85 67.88 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.152 0.501 . . . . 0.0 110.167 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.21 -39.73 89.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 110.035 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -49.65 -52.85 27.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.822 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -22.34 58.37 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.339 0.4 . . . . 0.0 111.025 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 3.6 mtp -70.96 -61.45 1.76 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.98 0.419 . . . . 0.0 111.476 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.02 93.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.063 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 70.6 t90 -61.84 -42.74 99.41 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.678 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 18.8 m -63.91 -43.62 95.4 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.978 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.46 -45.75 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.377 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.14 -43.33 98.46 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.94 -43.13 77.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 110.347 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 52.0 tp -85.23 139.52 31.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.582 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -80.45 118.51 22.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.168 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -114.49 120.82 41.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.42 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 75.9 mt -119.08 122.55 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.348 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -104.87 119.62 39.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.418 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 . . . . . 0 C--O 1.218 -0.585 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.668 179.922 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 mtt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -99.4 4.62 46.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.807 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -65.5 122.31 79.65 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.318 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -71.47 -33.76 10.44 Favored 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.107 1.871 . . . . 0.0 112.406 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -155.17 -79.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.63 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -148.91 166.65 27.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.484 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.88 -38.77 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.357 0.598 . . . . 0.0 110.473 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.88 -34.95 74.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.2 t -68.23 -44.29 76.05 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.856 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 pt -68.92 -30.96 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.217 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -63.13 -52.37 62.79 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.8 t -60.26 -36.55 78.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.492 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -59.24 -50.72 72.93 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.6 mm -66.1 -39.62 84.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.351 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.08 -63.43 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.7 m -47.81 -36.51 11.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.236 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.82 -53.38 58.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.263 0.554 . . . . 0.0 110.79 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -70.42 -20.39 62.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.707 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -68.98 -45.31 70.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.119 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.37 -23.11 47.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.74 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.73 -60.43 2.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.194 0.521 . . . . 0.0 111.026 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.36 95.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.989 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -62.26 -37.09 84.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.569 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -65.88 -43.63 87.74 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.004 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.02 -43.84 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.42 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.5 -41.09 99.81 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -60.12 -42.55 94.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.0 mt -73.01 141.37 47.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.58 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -98.17 141.99 30.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.639 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -106.89 127.71 53.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.826 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.4 pt -141.06 153.67 20.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.581 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -111.9 121.52 45.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.37 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.613 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 41.1 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -99.41 4.48 46.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.849 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -65.4 122.29 79.37 Favored Pre-proline 0 CA--C 1.538 0.512 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.337 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -71.54 -33.75 10.3 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 122.086 1.857 . . . . 0.0 112.362 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -155.14 -79.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.626 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -149.16 166.56 28.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.418 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.77 -38.73 74.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.278 0.561 . . . . 0.0 110.5 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.79 -35.19 74.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.0 t -67.9 -44.67 76.41 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.809 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 43.3 pt -68.48 -31.15 50.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.263 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 52.9 t -63.03 -52.28 63.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.0 t -60.29 -36.76 78.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.461 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -59.07 -50.92 72.21 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.051 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 11.6 mm -66.03 -39.49 84.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.367 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.09 -63.62 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 58.0 m -47.39 -36.9 10.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 110.184 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.59 -53.56 56.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.219 0.533 . . . . 0.0 110.708 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -70.39 -20.15 62.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -69.24 -45.24 70.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.186 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.26 -23.33 47.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.745 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.53 -60.59 2.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.117 0.484 . . . . 0.0 110.977 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.68 -42.32 95.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.005 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 48.1 t90 -62.25 -37.19 84.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.521 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -65.71 -43.85 87.86 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.964 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.86 -43.76 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.449 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.61 -41.2 99.84 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -60.06 -42.7 95.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.828 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -72.89 141.26 47.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.643 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -98.08 141.99 30.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -106.83 127.77 53.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 44.5 pt -141.09 153.74 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.587 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -112.09 121.66 45.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.326 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.555 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.1 mtt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -99.48 4.55 46.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.808 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -65.38 122.26 79.18 Favored Pre-proline 0 CA--C 1.537 0.474 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.328 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -71.44 -33.88 10.32 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.088 1.858 . . . . 0.0 112.406 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -155.05 -79.66 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.62 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -148.86 166.67 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.529 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.83 -38.8 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.333 0.587 . . . . 0.0 110.501 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.77 -35.16 74.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 37.2 t -68.01 -44.46 76.48 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.781 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 pt -68.79 -31.01 49.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.174 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 53.1 t -63.19 -52.36 62.64 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 47.0 t -60.21 -36.64 78.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -59.1 -50.88 72.37 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 11.5 mm -66.05 -39.62 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.388 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 52.6 mt -58.06 -63.47 1.25 Allowed 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 57.8 m -47.67 -36.62 11.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.744 0.307 . . . . 0.0 110.186 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.77 -53.4 58.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.257 0.551 . . . . 0.0 110.781 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.7 mt -70.38 -20.45 62.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.708 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -68.95 -45.38 70.88 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.111 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.3 -23.17 47.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.763 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 19.3 mmt -70.52 -60.46 2.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.138 0.494 . . . . 0.0 111.062 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.78 -42.31 95.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.949 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -62.24 -37.25 84.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -65.7 -43.82 88.02 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.954 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.83 -43.82 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.502 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.53 -41.21 99.81 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -60.05 -42.66 94.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -72.92 141.34 47.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.678 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -98.13 142.05 30.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -106.92 127.69 53.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.822 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 44.4 pt -141.06 153.77 20.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.587 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -112.02 121.54 45.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.332 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 . . . . . 0 C--O 1.219 -0.548 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.598 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 41.2 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -99.39 4.46 46.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.743 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -65.41 122.3 79.44 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.352 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -71.45 -33.87 10.33 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 122.095 1.864 . . . . 0.0 112.342 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -155.12 -79.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.711 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -149.23 166.54 28.57 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.393 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . 0.403 HG21 HD13 ' D' ' 7' ' ' ILE . 84.4 mt -58.81 -38.65 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.311 0.577 . . . . 0.0 110.479 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.87 -35.22 74.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 37.1 t -67.91 -44.61 76.53 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.827 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 pt -68.51 -31.18 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.287 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -63.06 -52.28 63.39 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -60.36 -36.77 78.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.368 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -58.93 -51.07 71.64 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.019 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 11.6 mm -66.01 -39.18 83.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.35 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 50.2 mt -59.59 -60.75 3.35 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.873 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 57.8 m -49.17 -36.58 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.175 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.67 -53.54 56.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.227 0.537 . . . . 0.0 110.727 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 59.3 mt -70.28 -20.23 63.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.729 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -69.22 -45.28 70.22 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.123 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.2 -23.48 47.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.726 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.39 -60.59 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.202 0.525 . . . . 0.0 111.042 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.21 95.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.078 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 47.9 t90 -62.3 -37.24 84.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.583 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -65.73 -43.78 88.0 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.984 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.97 -43.55 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.48 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.74 -41.19 99.88 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -60.03 -42.69 94.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.751 0.31 . . . . 0.0 110.845 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt -72.92 141.3 47.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.625 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -98.08 142.08 30.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.549 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -106.91 127.85 53.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 44.5 pt -141.2 153.43 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.647 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -111.79 121.64 45.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.337 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.516 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.7 mtp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -62.97 -42.11 99.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.715 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -73.39 153.38 90.05 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.784 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.72 -39.87 0.62 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.583 2.189 . . . . 0.0 112.085 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.98 -75.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.525 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -147.5 163.08 37.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.613 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.4 pt -59.09 -32.49 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.101 0.477 . . . . 0.0 110.543 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.0 mt -72.42 -32.32 66.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.895 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -71.91 -42.27 66.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.307 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.5 pt -71.05 -35.25 58.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.636 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.6 m -64.52 -52.43 57.79 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.536 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.4 p -62.45 -32.51 73.4 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.171 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -59.98 -50.34 74.14 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 mm -67.04 -44.48 88.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.982 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.23 -27.16 69.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.486 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -75.06 -44.88 45.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.562 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.52 -46.82 87.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.406 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.53 -23.47 58.81 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.498 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -66.34 -50.1 64.73 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.111 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -23.6 56.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.44 -60.23 2.39 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.349 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.82 93.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.232 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -63.08 -40.97 99.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.631 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 m -65.53 -43.1 91.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.092 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.3 -44.04 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.518 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.47 -41.97 99.74 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -61.05 -42.0 97.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.659 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.67 118.18 18.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.706 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -120.36 125.28 47.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.468 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -122.9 130.49 52.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.427 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.0 pt -133.59 153.09 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -102.53 128.67 49.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.469 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.559 -179.763 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 77.0 mtp . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -63.09 -42.08 99.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.744 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -73.4 153.53 90.03 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.78 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -76.85 -39.78 0.6 Allowed 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 122.601 2.201 . . . . 0.0 112.146 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.97 -76.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.49 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -147.27 163.13 37.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.603 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 pt -59.17 -32.35 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.071 0.462 . . . . 0.0 110.593 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 39.2 mt -72.64 -32.11 65.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.848 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -72.08 -41.95 66.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.417 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 pt -71.3 -35.21 56.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.591 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 65.7 m -64.51 -52.56 57.21 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.44 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 91.1 p -62.51 -32.35 73.26 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.177 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -60.06 -50.23 74.54 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.887 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 10.7 mm -67.14 -44.58 87.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.901 0.381 . . . . 0.0 110.962 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.19 -27.03 69.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.565 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -75.08 -44.7 45.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.567 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.76 88.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.496 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 44.1 mt -74.54 -23.56 58.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.466 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -66.13 -50.15 65.0 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.24 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.77 -23.31 55.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.67 -60.42 2.27 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.286 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.96 95.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.359 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -63.19 -40.85 98.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.598 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 17.4 m -65.8 -42.89 90.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.044 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.4 -44.18 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.461 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.39 -41.83 99.74 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -61.1 -41.88 97.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.626 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.88 118.16 18.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.745 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -120.29 125.28 47.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.469 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -122.92 130.57 53.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.411 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 42.9 pt -133.75 152.88 35.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.629 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -102.26 128.71 48.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.505 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.589 -179.814 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 76.9 mtp . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.578 -0.526 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -63.15 -42.02 99.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.713 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -73.43 153.32 89.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.748 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.6 -39.89 0.65 Allowed 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.551 2.167 . . . . 0.0 112.122 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.97 -75.95 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.527 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -147.65 162.87 38.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.627 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 25.5 pt -58.91 -32.34 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.542 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 38.9 mt -72.51 -32.32 66.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.817 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -72.06 -42.27 66.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.259 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 28.4 pt -70.91 -35.5 60.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.569 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 65.4 m -64.37 -52.17 59.64 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.577 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 91.9 p -62.77 -32.45 73.61 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.178 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -60.0 -50.45 73.67 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.809 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 mm -67.05 -44.26 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.042 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.5 -26.79 68.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.476 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 47.5 t -75.36 -44.76 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.536 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.91 87.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.42 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 44.1 mt -74.5 -23.26 58.82 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.522 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -66.59 -49.81 65.11 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.267 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.93 -23.68 55.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.772 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.36 -60.24 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.317 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.92 93.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.132 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 67.8 t90 -63.16 -40.7 98.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.694 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 17.4 m -65.81 -43.01 89.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.037 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.27 -44.08 97.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.5 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.86 99.74 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -61.2 -41.84 97.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.814 0.34 . . . . 0.0 110.662 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.91 118.18 18.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.748 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -120.3 125.19 47.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.497 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -122.81 130.49 52.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.432 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 43.1 pt -133.6 152.98 35.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.65 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -102.39 128.73 48.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.468 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.53 -179.794 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 76.8 mtp . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -63.01 -42.14 99.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.643 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -73.73 152.31 89.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.883 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.83 -40.88 0.83 Allowed 'Trans proline' 0 N--CA 1.49 1.302 0 C-N-CA 122.717 2.278 . . . . 0.0 112.228 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.78 -75.95 0.17 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.58 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -147.46 162.93 38.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.625 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 25.3 pt -59.04 -32.37 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.101 0.477 . . . . 0.0 110.562 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 38.8 mt -72.53 -32.29 66.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.884 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 35.3 t -71.98 -42.1 66.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.32 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 28.4 pt -71.07 -35.28 58.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.693 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 65.8 m -64.43 -52.54 57.54 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.527 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 91.9 p -62.46 -32.42 73.29 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.151 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -60.08 -50.32 74.17 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.794 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 10.5 mm -67.07 -44.52 88.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.911 0.386 . . . . 0.0 110.974 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.19 -27.11 69.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.533 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 47.4 t -75.15 -44.69 45.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.587 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.85 87.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.478 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 43.7 mt -74.52 -23.36 58.81 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.55 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -66.39 -50.09 64.65 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.64 -23.63 56.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.48 -60.33 2.33 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.306 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.94 94.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.214 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 67.8 t90 -63.05 -41.04 99.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.584 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 17.5 m -65.41 -43.21 91.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.008 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.2 -44.22 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.416 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.34 -42.04 99.73 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -60.99 -42.01 97.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.847 0.356 . . . . 0.0 110.709 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.71 118.28 18.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.682 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -120.4 125.28 47.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.447 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -122.85 130.49 52.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.41 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 43.0 pt -133.59 153.03 36.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.691 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -102.48 128.68 49.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.421 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.555 -179.825 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtm . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -63.86 -39.03 93.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.592 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 -88.05 152.87 51.33 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -71.02 -45.33 0.94 Allowed 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.46 2.107 . . . . 0.0 112.406 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -140.72 -69.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.454 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.76 164.51 31.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.487 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -51.87 -35.8 18.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.728 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.11 -34.14 77.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -70.91 -40.46 72.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.703 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.73 -48.73 87.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.0 m -61.93 -50.93 70.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.523 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.1 t -54.4 -43.31 71.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.242 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -58.27 -48.6 79.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.011 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.1 mm -63.25 -44.24 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.008 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.29 -33.48 75.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.746 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.6 m -72.32 -49.22 36.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.047 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.64 95.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.021 0.439 . . . . 0.0 110.437 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.04 -40.64 78.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.073 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.23 -42.85 96.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.033 0.444 . . . . 0.0 111.429 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.99 -32.91 61.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.333 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.12 -53.96 11.18 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.57 -43.98 96.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.556 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -70.95 -29.87 66.0 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 119.664 -0.815 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -63.85 -54.83 28.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.886 0.374 . . . . 0.0 110.617 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.51 -41.51 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.501 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.24 -39.77 98.13 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -66.28 -39.64 89.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.763 0.316 . . . . 0.0 111.089 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp -63.04 143.44 57.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.701 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -86.03 119.28 26.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.438 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -120.27 118.13 29.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.258 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.6 mt -121.36 121.65 65.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.32 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.06 95.42 2.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.98 0.419 . . . . 0.0 110.318 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.574 -179.832 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -63.83 -39.02 93.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.57 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -88.09 152.88 51.24 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.835 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.07 -45.33 0.93 Allowed 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.476 2.117 . . . . 0.0 112.419 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -140.68 -69.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.458 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.73 164.56 31.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.565 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -52.03 -35.67 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.797 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.33 -33.81 76.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.637 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 58.7 m -71.17 -40.27 71.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.823 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.92 -48.72 87.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.697 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 92.6 m -61.98 -50.87 70.37 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.527 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 36.9 t -54.48 -42.96 71.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.364 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -58.5 -48.5 80.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 15.3 mm -63.38 -44.15 98.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.046 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.45 -32.96 74.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -72.8 -48.95 33.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.144 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.58 95.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.441 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.01 -40.54 78.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.182 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.46 -42.43 96.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.975 0.417 . . . . 0.0 111.46 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.45 -32.49 60.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.431 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.48 -53.79 11.09 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -43.98 96.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.593 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.401 ' CE3' ' HA ' ' B' ' 23' ' ' TRP . 8.0 m95 -71.29 -29.27 64.85 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.4 -54.46 32.38 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.741 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.73 -41.49 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.487 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.33 -39.4 97.7 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -66.59 -39.31 88.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.806 0.336 . . . . 0.0 111.17 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp -63.47 143.57 57.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.666 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -85.98 119.36 26.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.498 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -120.39 117.82 28.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.292 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 79.3 mt -121.04 121.68 65.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.35 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.97 95.45 1.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.602 -179.804 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -64.03 -38.99 93.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.449 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 49.0 mp0 -88.1 152.93 51.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.768 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -71.07 -45.4 0.91 Allowed 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.447 2.098 . . . . 0.0 112.446 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -140.67 -69.37 0.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.396 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.83 164.45 31.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.543 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -51.77 -35.77 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.753 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.13 -34.33 78.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.509 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -70.64 -40.73 72.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.663 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.63 -48.66 87.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.667 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 93.5 m -62.02 -50.79 70.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.515 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 37.3 t -54.47 -43.45 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.203 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -58.12 -48.7 79.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 15.1 mm -63.21 -44.06 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.016 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.42 -33.52 75.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.75 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -72.17 -49.39 36.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.013 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.72 95.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.349 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.01 -40.59 78.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -60.24 -42.91 96.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.014 0.435 . . . . 0.0 111.457 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -32.95 61.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.265 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.14 -53.86 11.45 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.15 96.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.476 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . 0.4 ' HA ' ' CE3' ' C' ' 23' ' ' TRP . 8.1 m95 -70.93 -30.01 66.2 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.029 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -63.69 -54.87 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.684 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 74.2 mt -61.55 -41.34 89.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.489 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.31 -39.88 98.3 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -66.04 -39.84 90.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 111.179 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.97 143.39 57.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.683 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -85.91 119.2 25.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.573 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -120.22 118.1 29.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.217 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 79.4 mt -121.37 121.71 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.382 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 95.41 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.297 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.621 -179.82 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtm . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -63.82 -39.12 93.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.478 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 49.0 mp0 -88.07 152.89 51.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.816 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.0 -45.37 0.93 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.406 2.071 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -140.6 -69.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.499 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.73 164.52 31.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.481 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -51.75 -36.15 18.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.715 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.93 -34.33 78.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.498 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -70.57 -40.49 73.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.807 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.75 -48.68 87.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.706 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.02 -50.99 69.85 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.444 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t -54.32 -43.34 71.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.208 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -58.19 -48.5 80.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 15.0 mm -63.26 -44.35 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.934 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.15 -33.75 76.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.733 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -71.98 -49.27 38.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.074 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.68 95.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.36 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -68.97 -40.79 78.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.051 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -60.02 -43.09 95.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.04 0.448 . . . . 0.0 111.388 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.88 -32.69 61.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.346 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.18 -53.87 11.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.14 96.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.436 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -70.9 -29.93 66.14 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 119.654 -0.818 . . . . 0.0 111.115 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -63.7 -54.89 28.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.937 0.399 . . . . 0.0 110.68 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.37 -41.54 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.513 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.21 -40.1 98.54 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -65.79 -39.89 91.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 111.092 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.89 143.5 57.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.622 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -86.03 119.23 26.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.529 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -120.1 119.43 33.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.047 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 80.3 mt -122.43 121.54 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.22 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.97 95.36 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.922 0.391 . . . . 0.0 110.342 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.565 -179.775 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 mtp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -84.93 -27.03 26.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.464 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.2 153.06 79.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -71.89 -43.79 1.14 Allowed 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.69 2.26 . . . . 0.0 112.103 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -143.09 -85.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.371 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -152.28 160.75 43.29 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.865 0.364 . . . . 0.0 110.349 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 pt -58.75 -34.86 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.407 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.2 -34.03 68.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.673 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.1 t -70.4 -43.63 69.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.726 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.3 mt -63.64 -46.8 93.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.712 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 t -58.97 -51.08 71.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.898 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.0 p -61.11 -39.12 88.77 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.579 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -56.91 -56.0 27.25 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.168 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.25 -40.12 87.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.327 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -64.19 -28.26 69.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.631 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.7 m -73.9 -45.17 52.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.625 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.68 -51.41 70.08 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.261 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.53 -25.53 64.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.819 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -63.22 -52.3 62.77 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.227 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.15 -21.93 60.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.511 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -57.49 5.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.993 0.425 . . . . 0.0 111.063 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.9 -39.72 93.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.016 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -62.03 -41.51 98.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.557 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.3 p -67.67 -37.73 82.77 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.701 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.66 -45.2 99.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.603 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.16 -42.1 99.52 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -60.42 -42.48 96.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 110.666 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.7 mt -86.48 135.59 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.656 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -84.35 115.49 22.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.736 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -92.93 142.74 26.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.396 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.5 pt -130.71 155.34 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.708 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 100.92 12.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.522 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.565 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.3 mtp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -85.22 -26.86 26.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.399 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.34 153.09 79.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.82 -44.0 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.681 2.254 . . . . 0.0 112.063 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -142.94 -85.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.408 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -152.1 161.02 43.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.961 0.41 . . . . 0.0 110.313 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.3 pt -59.0 -34.92 54.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.27 -33.8 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.707 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 42.8 t -70.58 -43.45 69.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.779 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.61 -46.81 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.799 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.13 -51.02 71.82 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.932 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 80.9 p -61.14 -38.81 87.72 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.655 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -57.18 -55.84 29.59 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.258 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.31 -40.17 88.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.863 0.363 . . . . 0.0 110.451 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -64.19 -28.23 69.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.608 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.5 m -74.0 -44.97 52.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.647 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.77 -51.29 70.61 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.299 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.75 -25.49 63.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.888 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -63.17 -52.29 62.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.184 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.19 -21.76 60.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.485 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -57.67 4.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.058 0.456 . . . . 0.0 111.034 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.54 93.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -62.11 -41.32 98.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.625 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -67.84 -37.7 82.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.764 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 81.9 mt -62.55 -45.32 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.624 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.09 99.62 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -60.28 -42.35 95.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.756 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 87.8 mt -86.61 135.84 33.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.686 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -84.75 114.8 22.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.733 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -92.21 143.03 26.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.385 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 44.5 pt -130.9 155.57 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.716 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.25 100.93 13.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.528 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.538 -179.894 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 37.4 mtp . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -85.09 -27.04 26.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.457 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.22 153.1 79.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.78 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -71.78 -44.06 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.703 2.268 . . . . 0.0 112.129 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -142.88 -85.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.337 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -152.05 161.05 43.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.944 0.402 . . . . 0.0 110.301 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 19.3 pt -59.03 -34.97 54.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.322 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 90.2 mt -72.11 -33.98 68.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.625 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 42.3 t -70.48 -43.57 69.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.682 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.53 -46.83 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.784 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 24.0 t -59.01 -51.2 71.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.93 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -60.85 -39.25 88.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.636 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -56.78 -56.09 26.02 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.225 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.19 -40.21 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.367 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.99 -28.52 69.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.58 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 67.8 m -73.8 -45.18 53.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.563 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.43 -51.46 69.73 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.269 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.47 -26.0 64.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -62.98 -52.31 63.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.033 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -21.94 60.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -57.65 5.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.001 0.429 . . . . 0.0 111.021 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.57 93.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.122 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -61.99 -41.65 98.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.584 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 17.7 p -67.44 -37.84 83.62 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.77 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -62.47 -45.32 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.574 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.04 -42.36 99.64 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -60.18 -42.59 95.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.769 0.319 . . . . 0.0 110.649 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 87.9 mt -86.33 135.57 33.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.688 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -84.56 115.43 22.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.65 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -92.74 142.83 26.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.348 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 44.4 pt -130.78 155.35 41.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.747 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 100.88 12.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.427 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.583 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 37.3 mtp . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -84.94 -27.06 26.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.25 153.19 79.43 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.733 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -71.92 -43.86 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.703 2.268 . . . . 0.0 112.114 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -143.06 -85.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.366 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -152.03 161.03 43.27 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.371 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 pt -59.0 -34.98 54.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.33 -33.72 67.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.629 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 41.2 t -70.6 -43.43 69.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.814 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.78 -46.74 93.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.805 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 24.1 t -59.03 -51.12 71.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.955 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -61.12 -38.84 87.78 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.667 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -57.2 -55.73 30.95 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.303 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.42 -40.25 88.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.412 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.01 -28.16 69.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.662 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -74.11 -44.91 52.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.654 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.72 -51.62 69.2 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.218 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.25 -25.78 64.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.934 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -63.05 -52.29 63.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.182 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.19 -21.7 60.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.462 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.41 -57.64 5.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.07 0.462 . . . . 0.0 111.064 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.91 -39.56 93.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.046 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -62.1 -41.33 98.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.652 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -67.88 -37.62 82.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.71 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.59 -45.35 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.624 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.03 -42.18 99.69 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -60.46 -42.16 95.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.765 0.317 . . . . 0.0 110.796 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt -86.78 135.42 33.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 110.688 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -84.13 118.0 23.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.269 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -95.52 142.53 27.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.046 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 44.4 pt -130.6 154.27 40.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.852 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.32 100.93 12.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.469 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.631 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tpt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -159.99 27.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.537 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -75.04 148.46 84.4 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.536 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.37 -38.44 1.98 Allowed 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.335 2.024 . . . . 0.0 112.491 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.73 -84.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.251 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -148.71 161.43 41.78 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.854 0.359 . . . . 0.0 110.366 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.4 mm -64.07 -42.62 96.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.476 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.23 -35.29 76.0 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.744 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.7 p -69.52 -42.27 74.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.356 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mm -65.19 -41.68 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.632 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.9 m -59.39 -50.13 75.15 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.766 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.8 t -59.8 -40.3 87.88 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.76 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -60.45 -51.61 68.75 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.082 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.6 tt -66.01 -31.56 54.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.251 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.11 -63.47 1.24 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.4 p -52.3 -36.87 54.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.887 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.34 -47.35 86.31 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.174 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.09 -36.21 83.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.652 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -37.55 85.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.436 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.86 -36.17 62.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.907 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.1 mtt -72.05 -52.66 15.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.911 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.66 -42.43 98.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.118 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -74.01 -27.54 61.01 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.566 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.83 -55.79 17.4 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.647 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.05 -43.21 92.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.36 -36.51 92.6 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -72.83 -36.2 67.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.913 0.387 . . . . 0.0 111.149 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.49 132.89 53.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -129.13 137.45 51.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.046 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -138.93 142.11 38.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.216 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.9 pt -141.17 150.56 20.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.417 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -78.3 145.55 35.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.441 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.598 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tpt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -160.02 27.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.575 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -74.98 148.5 84.59 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.485 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.31 -38.47 2.0 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.375 2.05 . . . . 0.0 112.599 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.71 -84.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.341 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -148.68 161.52 41.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.781 0.324 . . . . 0.0 110.385 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 21.1 mm -64.17 -42.76 96.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.365 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.1 -35.44 76.47 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.736 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 88.4 p -69.34 -42.44 75.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.245 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 4.2 mm -65.04 -41.64 92.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.679 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 96.7 m -59.48 -50.14 75.07 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.379 -0.529 . . . . 0.0 109.762 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.7 t -59.75 -40.3 87.67 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.727 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -60.37 -51.74 68.2 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.09 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 18.6 tt -65.83 -31.6 54.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.335 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.6 mt -61.99 -63.95 1.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 88.8 p -51.73 -37.11 49.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.902 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.41 86.24 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.17 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.01 -36.25 83.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -37.74 85.59 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.405 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.56 -36.39 63.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.801 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 59.1 mtt -71.93 -52.52 16.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.909 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.78 99.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.038 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -73.76 -27.8 61.35 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.634 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.58 -56.11 16.08 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.871 0.367 . . . . 0.0 110.468 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.84 -43.23 93.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.25 -36.78 92.94 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -72.45 -36.63 68.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.945 0.402 . . . . 0.0 111.109 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.13 132.89 54.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.875 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -129.09 137.5 51.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.087 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -138.99 142.09 38.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.23 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 48.1 pt -141.14 150.42 20.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.536 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -78.18 145.55 35.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.526 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.602 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tpt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -159.97 27.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.512 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -75.04 148.41 84.36 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.577 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.13 -38.6 2.05 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.386 2.058 . . . . 0.0 112.627 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -148.66 -84.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.328 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -148.63 161.56 41.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.777 0.322 . . . . 0.0 110.405 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 mm -64.17 -42.76 96.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.345 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.16 -35.4 76.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.733 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 88.6 p -69.3 -42.4 75.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.328 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 4.1 mm -65.17 -41.56 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 96.5 m -59.46 -50.12 75.15 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.388 -0.525 . . . . 0.0 109.809 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 47.7 t -59.8 -40.27 87.75 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.714 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -60.4 -51.76 68.11 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.06 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 18.7 tt -65.81 -31.54 54.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.328 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.1 -63.66 1.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 88.5 p -52.14 -36.89 52.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.37 86.44 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.23 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.04 -36.44 84.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.658 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.44 -37.69 85.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.419 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.57 -36.39 63.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.984 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 59.2 mtt -71.95 -52.42 17.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.944 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.63 99.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.088 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 24.0 m95 -73.8 -27.69 61.26 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.536 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.66 -56.06 16.19 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.568 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . 0.403 HG22 HD11 ' C' ' 25' ' ' ILE . 96.7 mt -65.75 -43.35 93.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.16 -36.79 92.91 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -72.43 -36.62 68.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.928 0.394 . . . . 0.0 111.099 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.2 132.86 54.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.822 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -129.12 137.45 51.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.067 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -138.86 142.17 38.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.256 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 47.9 pt -141.19 150.54 20.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.459 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -78.27 145.52 35.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.43 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.641 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tpt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -160.0 27.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.598 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -75.18 148.07 83.66 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.592 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.58 -38.9 2.21 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.467 2.111 . . . . 0.0 112.545 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.59 -84.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.337 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -148.52 161.51 41.51 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.841 0.353 . . . . 0.0 110.378 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 mm -64.2 -42.62 96.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.387 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.23 -35.32 76.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.751 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 88.5 p -69.42 -42.41 75.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.29 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 4.2 mm -65.08 -41.66 92.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 95.8 m -59.44 -50.14 75.07 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.421 -0.512 . . . . 0.0 109.761 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 47.8 t -59.86 -40.21 87.85 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.775 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.38 -51.65 68.58 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.093 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 18.7 tt -66.12 -31.16 52.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.287 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 18.8 mt -63.4 -60.88 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.458 -0.497 . . . . 0.0 109.877 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 88.0 p -54.01 -36.65 63.21 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.745 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.38 86.27 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.139 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.06 -36.3 83.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.719 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -37.55 85.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.388 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -36.18 62.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.879 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 59.3 mtt -72.13 -52.61 15.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.869 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.66 99.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.088 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -73.85 -27.58 61.16 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.516 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.84 -55.9 16.75 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.606 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . 0.415 HG22 HD11 ' D' ' 25' ' ' ILE . 96.4 mt -66.04 -43.2 92.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.37 -36.45 92.52 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -72.81 -36.29 67.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.867 0.365 . . . . 0.0 111.076 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.4 132.92 54.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.78 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -129.07 137.46 51.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.114 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -138.97 142.03 38.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.242 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 48.0 pt -141.1 150.59 20.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.477 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -78.32 145.6 35.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.449 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.647 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttm . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -93.06 -35.71 13.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.689 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -77.11 159.07 79.01 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.66 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -54.76 -39.71 88.22 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.774 2.316 . . . . 0.0 112.11 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.47 -71.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.474 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -151.32 160.0 44.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.516 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.91 -33.51 49.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.547 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.67 -68.26 0.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.46 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.1 p -47.69 -32.37 5.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.172 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.0 mt -70.12 -46.88 70.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 121.11 0.481 . . . . 0.0 111.015 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.1 m -60.78 -48.15 83.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.18 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.8 m -64.52 -30.42 71.45 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.462 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.21 -49.71 76.06 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 120.954 0.407 . . . . 0.0 110.563 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.3 mt -66.53 -41.52 88.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.853 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.05 -64.23 1.02 Allowed 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.189 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.6 t -44.19 -38.81 3.96 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.87 -58.07 9.98 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.311 0.577 . . . . 0.0 110.624 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.22 -19.17 65.85 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.909 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -69.66 -47.96 61.48 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.36 -22.92 57.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.267 0.354 . . . . 0.0 110.777 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 34.4 mmt -71.21 -60.73 2.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.074 0.464 . . . . 0.0 111.29 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.3 90.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.918 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -62.21 -40.85 97.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.452 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.7 m -64.66 -41.87 95.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.794 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.7 -45.25 97.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.535 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.51 -43.34 99.16 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -56.84 -44.54 82.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.638 0.256 . . . . 0.0 110.376 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.84 132.34 44.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.722 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -80.31 140.4 36.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.8 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -94.6 119.15 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.456 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.1 mt -116.35 127.55 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.44 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -99.04 110.97 23.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.626 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.504 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.5 ttm . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -92.94 -35.49 13.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.706 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -77.21 158.96 78.95 Favored Pre-proline 0 N--CA 1.452 -0.373 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.575 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -54.71 -39.53 88.84 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.705 2.27 . . . . 0.0 112.151 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.72 -71.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.529 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -151.2 159.76 44.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.61 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.407 HG22 HD13 ' B' ' 7' ' ' ILE . 91.0 mt -58.72 -33.65 49.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.469 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.37 -68.92 0.3 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.345 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 90.4 p -47.24 -32.36 4.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.202 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 71.8 mt -70.21 -46.87 70.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.96 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 94.5 m -60.81 -48.24 82.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.107 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.0 m -64.32 -30.52 71.56 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.407 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -61.04 -49.79 75.95 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.033 0.444 . . . . 0.0 110.624 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.6 mt -66.49 -41.73 89.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.828 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.84 -64.43 0.96 Allowed 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.209 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 39.3 t -44.05 -38.76 3.74 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.0 -57.86 10.95 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.21 0.529 . . . . 0.0 110.56 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.53 -19.11 65.79 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.793 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -69.7 -47.9 61.51 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.21 -22.99 57.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.745 0.307 . . . . 0.0 110.925 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 34.4 mmt -71.46 -60.75 2.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.025 0.44 . . . . 0.0 111.249 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.34 91.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.971 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -62.21 -41.06 98.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.527 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 17.8 m -64.62 -41.87 95.89 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.708 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.53 -45.35 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.528 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.34 -43.66 98.76 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -56.66 -44.54 81.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.633 0.254 . . . . 0.0 110.32 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.77 132.59 44.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.79 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -80.68 140.12 35.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -94.28 119.08 32.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.573 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 76.3 mt -116.29 127.54 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.47 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -99.06 111.21 23.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.598 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.631 -179.897 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 37.7 ttm . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -92.9 -35.72 13.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.702 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -76.92 159.09 79.42 Favored Pre-proline 0 N--CA 1.452 -0.373 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.668 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -54.98 -39.33 91.34 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.766 2.311 . . . . 0.0 112.12 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.9 -71.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.534 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -150.98 159.92 44.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . 0.4 HD13 HG22 ' C' ' 7' ' ' ILE . 92.2 mt -58.93 -33.31 49.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.064 0.459 . . . . 0.0 110.644 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.74 -68.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.429 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 89.6 p -47.52 -32.35 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.142 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 71.5 mt -70.27 -46.8 70.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.016 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 88.4 m -60.92 -48.25 82.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.132 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 64.1 m -64.25 -30.6 71.65 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.408 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -60.95 -49.82 75.92 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.016 0.436 . . . . 0.0 110.596 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.45 -41.82 89.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.824 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.82 -64.22 1.03 Allowed 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.189 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 39.4 t -44.23 -38.8 4.02 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.87 -57.78 11.28 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.233 0.54 . . . . 0.0 110.596 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.64 -19.15 65.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.838 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -69.63 -47.92 61.77 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.27 -23.09 57.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 34.3 mmt -71.15 -60.61 2.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.047 0.451 . . . . 0.0 111.44 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.13 90.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.941 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -62.15 -41.12 97.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.469 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 17.7 m -64.53 -41.93 96.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.67 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.47 -45.49 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.579 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.34 -43.85 98.49 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -56.21 -44.78 79.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.736 0.303 . . . . 0.0 110.363 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.73 132.49 44.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.794 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -80.43 140.44 35.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.73 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -94.61 118.8 32.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.501 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 76.8 mt -116.15 127.34 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.46 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -98.81 111.32 23.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.607 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 37.7 ttm . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -93.09 -35.89 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.691 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -76.87 159.13 79.46 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.631 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -54.88 -39.89 88.03 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.74 2.293 . . . . 0.0 112.093 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.29 -71.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.495 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -151.37 160.02 43.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.511 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 90.7 mt -59.02 -32.74 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.435 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.24 -63.98 0.96 Allowed 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.555 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 90.3 p -50.14 -32.18 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 71.4 mt -70.29 -47.11 68.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.002 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 88.3 m -60.74 -47.74 84.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.23 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 61.4 m -64.79 -30.58 71.6 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.461 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -61.02 -49.72 76.29 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 120.956 0.408 . . . . 0.0 110.619 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.53 -41.37 88.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.746 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.38 -61.27 2.56 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.256 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 40.5 t -46.22 -38.47 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.94 -57.55 12.32 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.339 0.59 . . . . 0.0 110.657 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.86 -19.13 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.929 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -69.83 -47.45 62.69 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -22.96 55.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.697 0.284 . . . . 0.0 110.82 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 34.3 mmt -71.19 -60.2 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.018 0.437 . . . . 0.0 111.332 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.57 -40.23 88.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.993 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -62.18 -40.45 96.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.486 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 17.8 m -65.13 -41.68 94.62 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.753 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.91 -45.13 98.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.48 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.56 -43.35 99.13 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -56.97 -44.36 82.54 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.05 132.52 44.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.791 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -80.57 141.12 35.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.666 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -95.64 119.58 34.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.233 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 76.4 mt -116.59 127.22 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.505 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -98.83 109.85 22.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.737 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.627 179.68 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 ptm . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -19.25 22.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.371 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -57.03 146.96 57.78 Favored Pre-proline 0 CA--C 1.532 0.28 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.681 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -75.96 -53.34 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.562 2.175 . . . . 0.0 112.116 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -131.57 -82.55 0.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.413 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -154.05 161.88 41.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.442 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.4 pt -56.31 -32.45 35.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.4 tp -71.45 -34.43 70.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.531 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.7 m -70.97 -42.17 70.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.875 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.77 -45.2 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.802 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.9 m -59.56 -50.72 72.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.195 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -60.38 -38.36 83.66 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.56 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -57.36 12.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.183 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.3 pt -63.89 -40.18 88.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.08 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.72 -28.4 69.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.108 0.48 . . . . 0.0 110.303 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.6 m -74.07 -44.71 53.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.665 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.1 90.34 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.985 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 tp -73.0 -27.21 61.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.764 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -63.78 -51.5 64.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.47 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -24.19 56.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.561 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.1 mtt -70.29 -59.75 2.69 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.193 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.07 -38.76 92.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.918 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -66.29 -41.52 89.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -63.94 -51.15 65.75 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.526 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 26' ' ' GLY . 34.3 pt -58.57 -40.94 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.383 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.422 ' N ' HG13 ' A' ' 25' ' ' ILE . . . -64.3 -42.95 97.59 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -59.04 -43.58 91.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.73 0.3 . . . . 0.0 110.641 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.66 140.81 56.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.547 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -100.54 116.7 33.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.598 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -117.97 125.86 51.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.565 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.2 mt -132.33 132.62 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.756 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -79.95 102.18 9.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.459 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.562 -179.896 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.7 ptm . . . . . 0 N--CA 1.494 1.774 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.26 -19.21 20.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.408 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -57.05 147.21 56.73 Favored Pre-proline 0 CA--C 1.533 0.293 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.659 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.24 -53.15 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 122.53 2.153 . . . . 0.0 112.182 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.78 -82.48 0.51 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.408 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -154.24 161.71 41.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.421 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 pt -56.13 -32.47 34.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.339 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 29.0 tp -71.39 -34.62 70.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.532 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 71.9 m -70.84 -42.32 70.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.81 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.46 -45.38 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.767 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 96.0 m -59.6 -50.61 73.19 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.221 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.1 m -60.43 -38.44 84.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.508 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.34 -57.63 11.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.091 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 23.2 pt -63.62 -40.12 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.956 0.408 . . . . 0.0 111.142 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 63.8 mt -64.8 -28.36 69.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.125 0.488 . . . . 0.0 110.284 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 68.9 m -74.05 -44.82 52.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.654 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.2 89.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.939 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 28.2 tp -72.9 -27.22 61.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -63.77 -51.5 64.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.54 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.46 -24.39 56.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.539 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 30.2 mtt -70.22 -59.65 2.75 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.594 -0.443 . . . . 0.0 111.244 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.7 91.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.867 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -66.28 -41.5 89.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.052 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -63.96 -51.25 65.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.448 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.427 HG13 ' N ' ' B' ' 26' ' ' GLY . 34.3 pt -58.47 -40.97 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.439 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . 0.427 ' N ' HG13 ' B' ' 25' ' ' ILE . . . -64.28 -43.1 97.45 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -59.04 -43.68 91.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.731 0.3 . . . . 0.0 110.598 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.53 140.95 55.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.429 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -100.81 116.68 33.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.611 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -117.85 125.8 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.649 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -132.33 132.47 60.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.748 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -79.84 102.2 8.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.505 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.576 -179.904 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 7.7 ptm . . . . . 0 N--CA 1.494 1.756 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -19.1 21.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.372 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -57.05 146.97 57.93 Favored Pre-proline 0 CA--C 1.533 0.293 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.742 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -76.03 -53.23 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 122.518 2.145 . . . . 0.0 112.119 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -131.7 -82.53 0.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.457 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -154.01 161.9 41.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.468 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 pt -56.27 -32.48 35.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 29.2 tp -71.47 -34.43 70.19 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.469 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 71.9 m -70.99 -42.15 70.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.915 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.65 -45.27 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 96.4 m -59.54 -50.7 72.88 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.241 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.6 m -60.49 -38.18 83.47 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.51 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.5 -57.36 12.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.171 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 22.8 pt -63.89 -40.3 88.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.064 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 63.4 mt -64.61 -28.37 69.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.208 0.527 . . . . 0.0 110.323 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -73.95 -44.79 53.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.696 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.92 91.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.03 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 tp -73.06 -27.18 61.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.741 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -63.78 -51.65 63.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.508 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -24.25 57.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.545 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 30.1 mtt -70.33 -59.68 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.218 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.06 -38.88 92.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -66.12 -41.58 90.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.053 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 16.5 m -63.95 -51.2 65.5 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.446 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . 0.414 HG13 ' N ' ' C' ' 26' ' ' GLY . 34.6 pt -58.51 -41.11 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.375 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . 0.414 ' N ' HG13 ' C' ' 25' ' ' ILE . . . -64.19 -43.09 97.59 Favored Glycine 0 C--N 1.332 0.355 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -58.97 -43.6 91.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.776 0.322 . . . . 0.0 110.668 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 83.3 mt -59.59 140.89 55.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.508 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -100.76 116.73 33.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.62 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -117.82 125.96 51.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.596 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 87.3 mt -132.48 132.49 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.718 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -79.88 102.31 9.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.442 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.618 -179.937 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.7 ptm . . . . . 0 N--CA 1.495 1.794 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -19.22 21.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.333 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -57.34 146.01 64.79 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.795 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -74.41 -54.13 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.397 0 C-N-CA 122.612 2.208 . . . . 0.0 112.165 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.41 -82.47 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.425 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -154.14 161.89 41.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.54 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 30.6 pt -56.3 -32.49 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.312 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 29.1 tp -71.35 -34.62 70.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.443 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 72.5 m -70.86 -42.22 70.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.827 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.7 -45.23 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.737 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 95.6 m -59.52 -50.83 72.39 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.195 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 71.3 m -60.23 -38.45 83.47 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.499 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -57.5 11.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.067 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 22.9 pt -63.77 -40.19 88.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 120.916 0.389 . . . . 0.0 111.063 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 63.3 mt -64.77 -28.38 69.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.131 0.491 . . . . 0.0 110.242 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 68.6 m -73.75 -45.03 54.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.696 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.18 89.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.052 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 tp -72.87 -27.27 61.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.785 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -63.7 -51.7 63.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.473 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -24.35 57.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.551 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 30.1 mtt -70.15 -59.59 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.516 -0.473 . . . . 0.0 111.202 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.94 92.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.86 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -66.2 -41.58 89.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -63.8 -51.36 65.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.457 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . 0.43 HG13 ' N ' ' D' ' 26' ' ' GLY . 34.5 pt -58.32 -41.11 80.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.451 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . 0.43 ' N ' HG13 ' D' ' 25' ' ' ILE . . . -64.17 -43.15 97.53 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -58.83 -43.85 90.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.746 0.308 . . . . 0.0 110.662 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.47 140.69 55.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.514 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -100.54 117.8 35.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.413 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -118.69 125.9 50.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -132.48 132.56 60.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.801 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -79.93 102.22 9.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.892 0.377 . . . . 0.0 110.536 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.547 -179.882 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -98.41 -50.34 4.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.401 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 -92.88 159.26 36.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.07 -39.78 88.51 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.623 2.215 . . . . 0.0 112.049 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -143.1 -81.73 0.19 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.632 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -149.16 168.06 24.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.03 -41.35 85.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.633 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.38 -35.24 80.24 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.638 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -70.78 -41.33 71.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.795 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mm -64.64 -44.01 96.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.997 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m -60.5 -50.98 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.379 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -58.66 -38.17 77.58 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.366 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -50.93 71.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.079 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.2 -41.14 91.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.599 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.39 -63.18 1.37 Allowed 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.942 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.0 m -45.48 -40.53 8.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.226 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.73 -61.39 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.413 . . . . 0.0 110.6 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.71 -19.48 63.95 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.086 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.44 -49.42 55.18 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.026 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -23.53 59.74 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.974 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 80.3 mmm -69.48 -55.41 10.33 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.588 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.24 -38.68 82.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.16 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -62.88 -40.25 96.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.583 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -68.2 -39.17 82.52 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.813 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.8 mt -62.61 -46.39 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.641 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.42 99.9 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.28 -44.12 83.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.746 0.308 . . . . 0.0 110.393 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt -77.93 119.09 20.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.481 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -116.28 142.18 47.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.807 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -108.88 119.68 40.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.302 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.5 mt -112.19 127.46 69.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.71 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -123.28 115.26 21.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.506 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.8 mtp-105 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.497 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -98.4 -50.06 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.444 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -93.32 159.33 35.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -57.14 -39.68 88.83 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 122.597 2.198 . . . . 0.0 112.07 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -143.12 -81.93 0.19 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.642 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -149.06 168.0 24.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.509 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.01 -41.23 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.645 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.46 -35.25 80.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.633 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 75.2 m -70.76 -41.33 71.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.848 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mm -64.55 -44.08 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.021 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 82.9 m -60.54 -51.02 71.23 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.295 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 58.5 m -58.66 -38.13 77.48 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.415 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.2 -50.82 72.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.227 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.29 -41.19 91.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.532 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.22 -63.5 1.27 Allowed 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -45.22 -40.51 7.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.262 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.65 -61.72 2.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.975 0.416 . . . . 0.0 110.572 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.45 -19.45 63.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.124 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.48 -49.31 55.94 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.108 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.87 -23.35 59.59 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.965 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 80.3 mmm -69.59 -55.48 9.98 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.556 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.88 83.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.257 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -62.92 -40.14 96.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.54 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -68.25 -39.14 82.33 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.84 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 79.8 mt -62.69 -46.43 96.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.591 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.95 -41.34 99.91 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.35 -44.05 83.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.786 0.327 . . . . 0.0 110.42 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt -78.0 119.13 21.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.471 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -116.33 142.22 47.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.695 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -108.98 119.46 39.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.272 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 77.6 mt -112.11 127.36 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.771 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -123.23 115.22 21.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.496 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 24.8 mtp-105 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.477 -179.911 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ttp . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -98.44 -50.34 4.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.434 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 -92.98 159.34 35.91 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.81 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -57.18 -39.81 87.66 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 122.654 2.236 . . . . 0.0 112.074 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -142.98 -81.66 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.637 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -149.39 167.94 24.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.538 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.02 -41.17 85.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.693 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.44 -35.34 80.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.628 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -70.69 -41.37 72.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.763 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 6.1 mm -64.56 -44.04 96.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.983 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 82.4 m -60.54 -50.9 71.71 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.303 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -58.74 -38.25 77.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.384 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -51.03 71.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.104 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 87.5 mt -64.2 -41.06 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.563 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.44 -63.02 1.42 Allowed 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 69.6 m -45.45 -40.82 8.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.203 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.56 -61.43 2.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.97 0.415 . . . . 0.0 110.657 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.73 -19.23 63.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.086 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.74 -49.27 54.72 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.057 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.7 -23.73 59.84 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.916 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 80.4 mmm -69.35 -55.45 10.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.037 0.446 . . . . 0.0 111.558 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.17 -38.64 82.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.208 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -62.95 -40.28 97.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.518 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 17.7 p -68.14 -39.25 82.72 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.821 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.61 -46.26 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.636 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.09 -41.44 99.78 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.671 -0.971 . . . . 0.0 110.671 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -57.34 -44.2 84.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.678 0.275 . . . . 0.0 110.388 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt -77.82 119.1 20.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.442 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -116.33 142.2 47.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.748 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -108.89 119.63 40.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.28 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 77.9 mt -112.19 127.58 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.729 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -123.43 115.29 21.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.44 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 24.7 mtp-105 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.419 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -98.32 -51.19 4.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.318 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -91.74 159.24 38.8 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -57.16 -39.84 87.51 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.651 2.234 . . . . 0.0 112.034 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -143.02 -81.59 0.19 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.664 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -149.37 167.93 24.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.481 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 81.7 mt -59.94 -41.38 85.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.649 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.32 -35.36 80.61 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.58 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 75.8 m -70.68 -41.29 72.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.845 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mm -64.5 -44.07 96.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.986 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 83.9 m -60.55 -51.03 71.14 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.25 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 59.0 m -58.56 -38.36 77.68 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.38 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -50.94 71.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.2 -41.08 91.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.496 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.45 -60.41 3.59 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.126 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -47.2 -40.6 16.46 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.85 -60.6 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.659 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.38 -19.32 64.56 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.12 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.53 -49.64 52.53 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.868 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.49 -23.79 60.09 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.928 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 80.1 mmm -69.42 -55.41 10.41 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.535 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.17 -38.71 82.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.193 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -62.83 -40.43 97.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.436 -179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 17.6 p -68.03 -39.2 83.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.781 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.65 -46.32 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.595 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.65 99.85 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.09 -44.39 83.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.729 0.3 . . . . 0.0 110.356 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt -77.6 119.05 20.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.473 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -116.38 142.18 47.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.754 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -108.89 120.12 41.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.249 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 78.0 mt -112.62 127.56 69.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.728 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -123.32 115.29 21.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.468 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 24.7 mtp-105 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.433 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.71 0.29 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.614 ' HD2' HD11 ' A' ' 10' ' ' ILE . 52.1 Cg_exo -51.78 -37.16 64.85 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.573 2.182 . . . . 0.0 111.979 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.69 -71.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.298 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -160.87 160.52 31.12 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.61 -41.95 92.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.925 0.393 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.4 mt -68.55 -34.52 75.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -71.41 -43.5 66.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.238 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.614 HD11 ' HD2' ' A' ' 4' ' ' PRO . 84.8 mt -65.65 -45.25 92.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.0 m -60.79 -51.05 70.99 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.586 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -59.83 -38.06 80.97 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.571 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -59.75 -50.12 75.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.0 mt -67.46 -41.55 86.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.764 0.316 . . . . 0.0 110.971 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.7 -24.94 67.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.686 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.6 p -82.74 -41.37 19.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.766 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.59 -48.43 81.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.039 0.447 . . . . 0.0 110.196 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.9 -41.26 78.46 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.329 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -52.68 -44.34 66.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.469 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -25.87 53.45 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.326 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.1 mtt -71.02 -59.93 2.51 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.664 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.92 97.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 32.4 t90 -63.43 -37.85 88.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.807 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.7 m -66.82 -43.35 84.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.313 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.24 -42.94 97.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.873 0.368 . . . . 0.0 110.446 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.64 -39.54 98.03 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -69.28 -38.96 78.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.791 0.329 . . . . 0.0 111.2 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.777 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 59.6 mp0 . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 120.66 0.267 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PRO . . . . . 0.616 ' HD2' HD11 ' B' ' 10' ' ' ILE . 51.5 Cg_exo -51.72 -37.34 64.52 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.637 2.225 . . . . 0.0 111.929 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.57 -71.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.365 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -160.76 160.61 31.5 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.67 -42.21 93.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.85 0.357 . . . . 0.0 110.753 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 64.1 mt -68.03 -35.09 77.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.942 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.6 t -70.94 -43.69 67.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.142 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.616 HD11 ' HD2' ' B' ' 4' ' ' PRO . 85.7 mt -65.43 -45.28 93.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 94.6 m -60.7 -51.2 70.38 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.549 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.7 m -59.63 -38.31 81.02 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.477 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.56 -50.24 74.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.1 mt -67.19 -41.78 87.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.003 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.34 -25.5 68.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.592 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 59.6 p -82.06 -41.89 19.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.699 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.27 -48.57 81.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.189 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.61 -41.29 79.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.366 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -52.62 -44.94 66.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.396 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -26.34 56.22 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.292 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 46.5 mtt -70.73 -59.91 2.55 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.724 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.01 -41.86 97.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.78 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -63.33 -38.52 91.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.715 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 8.2 m -66.15 -43.88 85.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.31 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.84 -42.84 96.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.396 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.66 -40.01 98.62 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -68.62 -39.84 80.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 111.15 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.735 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 59.6 mp0 . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.627 0.251 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 4' ' ' PRO . . . . . 0.601 ' HD2' HD11 ' C' ' 10' ' ' ILE . 52.3 Cg_exo -51.71 -37.0 63.77 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.555 2.17 . . . . 0.0 112.055 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.9 -71.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.442 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -161.18 160.7 30.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.096 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.73 -42.52 94.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.875 0.369 . . . . 0.0 110.762 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 63.4 mt -67.73 -35.37 78.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 46.7 t -70.74 -43.67 68.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.1 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.601 HD11 ' HD2' ' C' ' 4' ' ' PRO . 85.5 mt -65.5 -45.13 93.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 93.9 m -60.89 -51.2 70.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.574 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.7 m -59.45 -38.48 80.85 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.458 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -59.4 -50.25 74.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 94.7 mt -67.13 -42.02 87.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.033 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.05 -25.86 68.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.587 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 59.6 p -81.57 -42.04 20.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.731 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.75 80.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.139 0.495 . . . . 0.0 110.152 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.46 -41.45 80.17 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.284 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -52.3 -45.29 65.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.374 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -26.23 56.43 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.265 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 46.3 mtt -70.78 -60.04 2.47 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.686 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.89 97.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.821 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -63.12 -38.76 92.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.712 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 8.1 m -66.05 -44.09 85.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.288 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.58 -43.0 96.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.414 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.45 -40.31 98.91 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -68.23 -40.09 82.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 111.148 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.717 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.697 0.285 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 4' ' ' PRO . . . . . 0.62 ' HD2' HD11 ' D' ' 10' ' ' ILE . 52.5 Cg_exo -51.92 -36.87 65.62 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.64 2.227 . . . . 0.0 111.985 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.04 -71.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.344 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -161.23 160.69 30.27 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.69 -42.37 94.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.785 0.326 . . . . 0.0 110.748 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 63.9 mt -68.02 -34.87 77.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -71.28 -43.42 67.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.141 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.62 HD11 ' HD2' ' D' ' 4' ' ' PRO . 85.0 mt -65.7 -45.05 93.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 92.0 m -60.96 -51.23 70.14 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.496 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 74.4 m -59.65 -38.09 80.47 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.5 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.74 -50.0 75.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.984 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 94.2 mt -67.44 -41.64 86.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.862 0.363 . . . . 0.0 111.035 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 45.2 mt -64.44 -25.43 68.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.666 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 63.7 p -82.17 -41.61 20.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.643 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.43 81.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.126 0.489 . . . . 0.0 110.193 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -68.77 -41.48 78.76 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.228 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -52.35 -44.92 65.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.457 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.41 -25.98 55.06 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.263 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 46.0 mtt -70.97 -60.04 2.45 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.683 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.79 97.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -63.18 -38.36 90.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.757 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 7.8 m -66.44 -43.71 84.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.273 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.02 -42.97 96.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.415 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.48 -39.91 98.42 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -68.67 -39.63 80.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 111.063 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.648 0.261 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -50.62 -42.52 49.59 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.549 2.166 . . . . 0.0 112.079 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -157.45 -58.4 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.486 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -172.52 170.02 4.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.475 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.8 mp -59.08 -39.35 78.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.542 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.85 -32.57 73.83 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.42 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.5 m -74.59 -38.84 62.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.083 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.7 -46.76 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.728 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.0 m -62.04 -51.21 68.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.97 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.5 t -55.4 -40.23 71.16 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.355 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.7 -47.83 84.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.37 -43.18 97.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 121.094 0.473 . . . . 0.0 110.583 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.88 -28.23 69.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.418 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.9 m -73.59 -45.7 51.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.859 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.72 -51.86 67.81 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.134 0.492 . . . . 0.0 110.207 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.3 -39.61 89.45 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.057 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -49.6 -53.14 25.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.818 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -22.25 58.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.247 0.342 . . . . 0.0 111.002 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.7 mtp -70.92 -61.81 1.62 Allowed 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.425 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.23 -40.91 94.69 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.042 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 71.3 t90 -61.9 -42.89 99.61 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.669 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.6 m -63.73 -43.82 95.36 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.25 -45.77 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.356 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.09 -43.5 98.23 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.79 -43.21 76.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.828 0.347 . . . . 0.0 110.353 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.635 -179.83 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.678 0.275 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -50.41 -42.58 47.87 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.507 2.138 . . . . 0.0 112.208 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -157.36 -58.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.546 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -172.35 169.99 5.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.395 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.4 ' H ' HD12 ' B' ' 7' ' ' ILE . 2.8 mp -59.09 -39.3 78.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.549 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.77 -32.49 73.65 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.465 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 64.4 m -74.81 -38.76 62.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.147 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.71 -46.78 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.698 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.93 -51.13 69.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.1 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.8 t -55.63 -40.0 71.59 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.392 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.87 -47.74 84.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.603 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.3 -43.29 97.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.14 0.495 . . . . 0.0 110.658 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 63.4 mt -62.91 -28.05 69.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.281 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 73.0 m -73.67 -45.64 51.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.94 -51.89 67.78 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.176 0.512 . . . . 0.0 110.256 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.18 -39.66 89.9 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.023 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -49.51 -53.1 25.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.896 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -22.09 58.78 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 123.37 0.419 . . . . 0.0 111.052 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 3.7 mtp -71.04 -62.02 1.55 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.344 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.95 95.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.072 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 70.9 t90 -61.96 -42.82 99.55 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.731 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m -64.01 -43.43 95.64 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.928 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.49 -45.83 97.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.317 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.09 -43.29 98.43 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -43.05 77.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.375 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 50.7 tp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.705 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.617 0.246 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -50.4 -42.66 47.55 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.554 2.169 . . . . 0.0 112.159 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -157.29 -58.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -172.42 170.12 5.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.421 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.4 HD12 ' H ' ' C' ' 7' ' ' ILE . 2.9 mp -59.2 -39.31 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.569 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.65 -32.62 73.71 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.146 0.498 . . . . 0.0 110.486 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 63.0 m -74.81 -38.68 62.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.122 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.84 -46.57 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.687 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 85.0 m -62.12 -51.16 69.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.04 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 37.9 t -55.54 -40.2 71.56 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.278 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -59.64 -47.91 83.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.611 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.24 -43.24 97.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-O 121.084 0.469 . . . . 0.0 110.585 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 63.3 mt -63.02 -28.01 69.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.282 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 73.4 m -73.64 -45.75 50.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.779 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.76 -52.02 67.15 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.211 0.529 . . . . 0.0 110.2 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 74.2 mt -66.14 -39.62 89.97 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.069 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -49.57 -53.21 25.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.742 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -22.27 58.89 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 123.315 0.384 . . . . 0.0 111.086 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 3.6 mtp -70.98 -61.88 1.6 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.36 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.91 94.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.062 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -61.93 -42.97 99.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.651 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m -63.81 -43.63 95.67 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.33 -45.96 97.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.397 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.01 -43.43 98.2 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -43.18 76.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.807 0.337 . . . . 0.0 110.361 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.67 -179.878 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.582 0.229 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.61 -42.61 49.17 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.496 2.131 . . . . 0.0 112.121 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -157.32 -58.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.423 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -172.31 170.06 5.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.426 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -59.04 -39.31 78.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.551 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.89 -32.52 73.8 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.457 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 63.5 m -74.67 -38.92 62.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.139 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.8 -46.63 93.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 85.8 m -62.02 -51.1 69.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.01 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -55.6 -40.1 71.63 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.411 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.87 -47.75 84.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.29 -43.19 97.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.08 0.467 . . . . 0.0 110.596 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 64.5 mt -63.12 -27.93 69.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -73.91 -45.57 49.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.765 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.85 67.88 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.152 0.501 . . . . 0.0 110.167 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.21 -39.73 89.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 110.035 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -49.65 -52.85 27.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.822 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -22.34 58.37 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.339 0.4 . . . . 0.0 111.025 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 3.6 mtp -70.96 -61.45 1.76 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.98 0.419 . . . . 0.0 111.476 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.02 93.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.063 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 70.6 t90 -61.84 -42.74 99.41 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.678 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 18.8 m -63.91 -43.62 95.4 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.978 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.46 -45.75 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.377 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.14 -43.33 98.46 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.94 -43.13 77.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 110.347 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 52.0 tp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.582 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 CA--C 1.537 0.452 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -71.47 -33.76 10.44 Favored 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.107 1.871 . . . . 0.0 112.406 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -155.17 -79.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.63 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -148.91 166.65 27.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.484 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.88 -38.77 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.357 0.598 . . . . 0.0 110.473 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.88 -34.95 74.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.2 t -68.23 -44.29 76.05 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.856 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 pt -68.92 -30.96 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.217 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -63.13 -52.37 62.79 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.8 t -60.26 -36.55 78.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.492 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -59.24 -50.72 72.93 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.41 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 11.6 mm -66.1 -39.62 84.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.351 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.08 -63.43 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.7 m -47.81 -36.51 11.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.236 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . -59.82 -53.38 58.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.263 0.554 . . . . 0.0 110.79 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -70.42 -20.39 62.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.707 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -68.98 -45.31 70.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.119 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.37 -23.11 47.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.74 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.73 -60.43 2.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.194 0.521 . . . . 0.0 111.026 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.36 95.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.989 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -62.26 -37.09 84.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.569 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -65.88 -43.63 87.74 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.004 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.02 -43.84 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.42 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.5 -41.09 99.81 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -60.12 -42.55 94.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.0 mt . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.58 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -71.54 -33.75 10.3 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 122.086 1.857 . . . . 0.0 112.362 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -155.14 -79.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.626 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -149.16 166.56 28.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.418 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.77 -38.73 74.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.278 0.561 . . . . 0.0 110.5 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.79 -35.19 74.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.0 t -67.9 -44.67 76.41 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.809 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 43.3 pt -68.48 -31.15 50.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.263 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 52.9 t -63.03 -52.28 63.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.0 t -60.29 -36.76 78.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.461 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -59.07 -50.92 72.21 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.051 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.416 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 11.6 mm -66.03 -39.49 84.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.367 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.09 -63.62 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 58.0 m -47.39 -36.9 10.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 110.184 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' B' ' 14' ' ' ILE . . . -59.59 -53.56 56.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.219 0.533 . . . . 0.0 110.708 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -70.39 -20.15 62.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -69.24 -45.24 70.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.186 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.26 -23.33 47.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.745 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.53 -60.59 2.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.117 0.484 . . . . 0.0 110.977 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.68 -42.32 95.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.005 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 48.1 t90 -62.25 -37.19 84.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.521 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -65.71 -43.85 87.86 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.964 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.86 -43.76 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.449 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.61 -41.2 99.84 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -60.06 -42.7 95.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.828 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.643 -179.89 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 . . . . . 0 CA--C 1.537 0.474 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -71.44 -33.88 10.32 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.088 1.858 . . . . 0.0 112.406 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -155.05 -79.66 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.62 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -148.86 166.67 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.529 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.83 -38.8 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.333 0.587 . . . . 0.0 110.501 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.77 -35.16 74.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 37.2 t -68.01 -44.46 76.48 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.781 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 pt -68.79 -31.01 49.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.174 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 53.1 t -63.19 -52.36 62.64 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 47.0 t -60.21 -36.64 78.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -59.1 -50.88 72.37 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' ILE . . . . . 0.408 ' O ' ' HB3' ' C' ' 17' ' ' ALA . 11.5 mm -66.05 -39.62 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.388 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 52.6 mt -58.06 -63.47 1.25 Allowed 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 57.8 m -47.67 -36.62 11.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.744 0.307 . . . . 0.0 110.186 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' C' ' 14' ' ' ILE . . . -59.77 -53.4 58.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.257 0.551 . . . . 0.0 110.781 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.7 mt -70.38 -20.45 62.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.708 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -68.95 -45.38 70.88 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.111 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.3 -23.17 47.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.763 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 19.3 mmt -70.52 -60.46 2.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.138 0.494 . . . . 0.0 111.062 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.78 -42.31 95.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.949 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -62.24 -37.25 84.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -65.7 -43.82 88.02 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.954 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.83 -43.82 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.502 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.53 -41.21 99.81 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -60.05 -42.66 94.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.678 -179.933 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -71.45 -33.87 10.33 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 122.095 1.864 . . . . 0.0 112.342 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -155.12 -79.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.711 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -149.23 166.54 28.57 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.393 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.81 -38.65 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.311 0.577 . . . . 0.0 110.479 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.87 -35.22 74.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 37.1 t -67.91 -44.61 76.53 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.827 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 pt -68.51 -31.18 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.287 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -63.06 -52.28 63.39 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -60.36 -36.77 78.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.368 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -58.93 -51.07 71.64 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.019 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 11.6 mm -66.01 -39.18 83.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.35 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 50.2 mt -59.59 -60.75 3.35 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.873 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 57.8 m -49.17 -36.58 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.175 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.67 -53.54 56.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.227 0.537 . . . . 0.0 110.727 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 59.3 mt -70.28 -20.23 63.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.729 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -69.22 -45.28 70.22 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.123 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.2 -23.48 47.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.726 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.39 -60.59 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.202 0.525 . . . . 0.0 111.042 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.21 95.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.078 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 47.9 t90 -62.3 -37.24 84.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.583 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -65.73 -43.78 88.0 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.984 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.97 -43.55 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.48 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.74 -41.19 99.88 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -60.03 -42.69 94.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.751 0.31 . . . . 0.0 110.845 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.625 -179.885 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 120.438 0.161 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.72 -39.87 0.62 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.583 2.189 . . . . 0.0 112.085 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.98 -75.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.525 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -147.5 163.08 37.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.613 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.4 pt -59.09 -32.49 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.101 0.477 . . . . 0.0 110.543 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.0 mt -72.42 -32.32 66.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.895 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -71.91 -42.27 66.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.307 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.5 pt -71.05 -35.25 58.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.636 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.6 m -64.52 -52.43 57.79 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.536 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.4 p -62.45 -32.51 73.4 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.171 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -59.98 -50.34 74.14 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 mm -67.04 -44.48 88.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.982 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.23 -27.16 69.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.486 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -75.06 -44.88 45.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.562 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.52 -46.82 87.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.406 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.53 -23.47 58.81 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.498 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -66.34 -50.1 64.73 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.111 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -23.6 56.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.44 -60.23 2.39 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.349 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.82 93.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.232 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -63.08 -40.97 99.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.631 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 m -65.53 -43.1 91.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.092 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.3 -44.04 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.518 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.47 -41.97 99.74 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -61.05 -42.0 97.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.659 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.706 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 120.506 0.194 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -76.85 -39.78 0.6 Allowed 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 122.601 2.201 . . . . 0.0 112.146 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.97 -76.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.49 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -147.27 163.13 37.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.603 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 pt -59.17 -32.35 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.071 0.462 . . . . 0.0 110.593 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 39.2 mt -72.64 -32.11 65.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.848 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -72.08 -41.95 66.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.417 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 pt -71.3 -35.21 56.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.591 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 65.7 m -64.51 -52.56 57.21 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.44 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 91.1 p -62.51 -32.35 73.26 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.177 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -60.06 -50.23 74.54 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.887 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 10.7 mm -67.14 -44.58 87.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.901 0.381 . . . . 0.0 110.962 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.19 -27.03 69.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.565 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -75.08 -44.7 45.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.567 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.76 88.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.496 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 44.1 mt -74.54 -23.56 58.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.466 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -66.13 -50.15 65.0 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.24 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.77 -23.31 55.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.67 -60.42 2.27 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.286 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.96 95.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.359 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -63.19 -40.85 98.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.598 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 17.4 m -65.8 -42.89 90.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.044 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.4 -44.18 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.461 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.39 -41.83 99.74 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -61.1 -41.88 97.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.626 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.745 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 . . . . . 0 CA--C 1.53 0.196 0 CA-C-O 120.511 0.196 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.6 -39.89 0.65 Allowed 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.551 2.167 . . . . 0.0 112.122 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.97 -75.95 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.527 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -147.65 162.87 38.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.627 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 25.5 pt -58.91 -32.34 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.542 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 38.9 mt -72.51 -32.32 66.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.817 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -72.06 -42.27 66.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.259 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 28.4 pt -70.91 -35.5 60.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.569 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 65.4 m -64.37 -52.17 59.64 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.577 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 91.9 p -62.77 -32.45 73.61 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.178 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -60.0 -50.45 73.67 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.809 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 mm -67.05 -44.26 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.042 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.5 -26.79 68.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.476 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 47.5 t -75.36 -44.76 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.536 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.91 87.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.42 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 44.1 mt -74.5 -23.26 58.82 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.522 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -66.59 -49.81 65.11 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.267 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.93 -23.68 55.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.772 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.36 -60.24 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.317 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.92 93.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.132 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 67.8 t90 -63.16 -40.7 98.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.694 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 17.4 m -65.81 -43.01 89.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.037 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.27 -44.08 97.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.5 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.86 99.74 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -61.2 -41.84 97.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.814 0.34 . . . . 0.0 110.662 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.748 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 120.51 0.195 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.83 -40.88 0.83 Allowed 'Trans proline' 0 N--CA 1.49 1.302 0 C-N-CA 122.717 2.278 . . . . 0.0 112.228 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.78 -75.95 0.17 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.58 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -147.46 162.93 38.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.625 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 25.3 pt -59.04 -32.37 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.101 0.477 . . . . 0.0 110.562 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 38.8 mt -72.53 -32.29 66.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.884 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 35.3 t -71.98 -42.1 66.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.32 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.407 HD13 HG21 ' D' ' 10' ' ' ILE . 28.4 pt -71.07 -35.28 58.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.693 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 65.8 m -64.43 -52.54 57.54 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.527 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 91.9 p -62.46 -32.42 73.29 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.151 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -60.08 -50.32 74.17 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.794 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 10.5 mm -67.07 -44.52 88.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.911 0.386 . . . . 0.0 110.974 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.19 -27.11 69.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.533 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 47.4 t -75.15 -44.69 45.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.587 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.85 87.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.478 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 43.7 mt -74.52 -23.36 58.81 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.55 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -66.39 -50.09 64.65 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.64 -23.63 56.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.48 -60.33 2.33 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.306 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.94 94.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.214 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 67.8 t90 -63.05 -41.04 99.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.584 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 17.5 m -65.41 -43.21 91.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.008 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.2 -44.22 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.416 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.34 -42.04 99.73 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -60.99 -42.01 97.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.847 0.356 . . . . 0.0 110.709 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.682 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 120.447 0.165 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -71.02 -45.33 0.94 Allowed 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.46 2.107 . . . . 0.0 112.406 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -140.72 -69.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.454 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.76 164.51 31.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.487 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -51.87 -35.8 18.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.728 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.11 -34.14 77.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -70.91 -40.46 72.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.703 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.73 -48.73 87.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.0 m -61.93 -50.93 70.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.523 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.1 t -54.4 -43.31 71.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.242 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -58.27 -48.6 79.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.011 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.1 mm -63.25 -44.24 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.008 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.29 -33.48 75.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.746 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.6 m -72.32 -49.22 36.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.047 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.64 95.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.021 0.439 . . . . 0.0 110.437 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.04 -40.64 78.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.073 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.23 -42.85 96.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.033 0.444 . . . . 0.0 111.429 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.99 -32.91 61.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.333 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.12 -53.96 11.18 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.57 -43.98 96.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.556 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.425 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 8.3 m95 -70.95 -29.87 66.0 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 119.664 -0.815 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -63.85 -54.83 28.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.886 0.374 . . . . 0.0 110.617 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.51 -41.51 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.501 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.24 -39.77 98.13 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -66.28 -39.64 89.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.763 0.316 . . . . 0.0 111.089 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.701 -179.686 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.437 0.16 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.07 -45.33 0.93 Allowed 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.476 2.117 . . . . 0.0 112.419 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -140.68 -69.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.458 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.73 164.56 31.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.565 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -52.03 -35.67 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.797 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.33 -33.81 76.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.637 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 58.7 m -71.17 -40.27 71.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.823 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.92 -48.72 87.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.697 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 92.6 m -61.98 -50.87 70.37 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.527 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 36.9 t -54.48 -42.96 71.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.364 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -58.5 -48.5 80.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 15.3 mm -63.38 -44.15 98.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.046 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.45 -32.96 74.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -72.8 -48.95 33.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.144 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.58 95.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.441 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.01 -40.54 78.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.182 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.46 -42.43 96.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.975 0.417 . . . . 0.0 111.46 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.45 -32.49 60.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.431 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.48 -53.79 11.09 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -43.98 96.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.593 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.425 ' CE3' ' HA ' ' B' ' 23' ' ' TRP . 8.0 m95 -71.29 -29.27 64.85 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.4 -54.46 32.38 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.741 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.73 -41.49 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.487 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.33 -39.4 97.7 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -66.59 -39.31 88.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.806 0.336 . . . . 0.0 111.17 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.666 -179.729 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 49.0 mp0 . . . . . 0 CA--C 1.531 0.215 0 CA-C-O 120.503 0.192 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -71.07 -45.4 0.91 Allowed 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.447 2.098 . . . . 0.0 112.446 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -140.67 -69.37 0.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.396 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.83 164.45 31.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.543 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -51.77 -35.77 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.753 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.13 -34.33 78.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.509 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -70.64 -40.73 72.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.663 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.63 -48.66 87.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.667 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 93.5 m -62.02 -50.79 70.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.515 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 37.3 t -54.47 -43.45 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.203 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -58.12 -48.7 79.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 15.1 mm -63.21 -44.06 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.016 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.42 -33.52 75.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.75 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -72.17 -49.39 36.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.013 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.72 95.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.349 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.01 -40.59 78.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -60.24 -42.91 96.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.014 0.435 . . . . 0.0 111.457 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -32.95 61.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.265 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.14 -53.86 11.45 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.15 96.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.476 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' TRP . . . . . 0.426 ' CE3' ' HA ' ' C' ' 23' ' ' TRP . 8.1 m95 -70.93 -30.01 66.2 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.029 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -63.69 -54.87 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.684 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 74.2 mt -61.55 -41.34 89.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.489 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.31 -39.88 98.3 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -66.04 -39.84 90.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 111.179 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.683 -179.609 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 49.0 mp0 . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 120.476 0.179 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.0 -45.37 0.93 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.406 2.071 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -140.6 -69.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.499 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.73 164.52 31.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.481 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -51.75 -36.15 18.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.715 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.93 -34.33 78.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.498 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -70.57 -40.49 73.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.807 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.75 -48.68 87.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.706 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.02 -50.99 69.85 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.444 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t -54.32 -43.34 71.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.208 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -58.19 -48.5 80.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 15.0 mm -63.26 -44.35 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.934 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.15 -33.75 76.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.733 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -71.98 -49.27 38.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.074 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.68 95.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.36 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -68.97 -40.79 78.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.051 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -60.02 -43.09 95.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.04 0.448 . . . . 0.0 111.388 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.88 -32.69 61.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.346 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.18 -53.87 11.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.14 96.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.436 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 23' ' ' TRP . . . . . 0.418 ' HA ' ' CE3' ' D' ' 23' ' ' TRP . 8.2 m95 -70.9 -29.93 66.14 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 119.654 -0.818 . . . . 0.0 111.115 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -63.7 -54.89 28.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.937 0.399 . . . . 0.0 110.68 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.37 -41.54 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.513 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.21 -40.1 98.54 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -65.79 -39.89 91.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 111.092 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.622 -179.563 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.25 0 CA-C-O 120.517 0.199 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -71.89 -43.79 1.14 Allowed 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.69 2.26 . . . . 0.0 112.103 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -143.09 -85.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.371 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -152.28 160.75 43.29 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.865 0.364 . . . . 0.0 110.349 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 7' ' ' ILE . 19.0 pt -58.75 -34.86 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.407 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.2 -34.03 68.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.673 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.1 t -70.4 -43.63 69.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.726 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.3 mt -63.64 -46.8 93.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.712 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 t -58.97 -51.08 71.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.898 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.0 p -61.11 -39.12 88.77 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.579 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -56.91 -56.0 27.25 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.168 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.25 -40.12 87.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.327 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -64.19 -28.26 69.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.631 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.7 m -73.9 -45.17 52.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.625 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.68 -51.41 70.08 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.261 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.53 -25.53 64.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.819 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -63.22 -52.3 62.77 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.227 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.482 ' O ' HG23 ' A' ' 24' ' ' THR . 0.2 OUTLIER -73.15 -21.93 60.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.511 179.474 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -57.49 5.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.993 0.425 . . . . 0.0 111.063 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.9 -39.72 93.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.016 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -62.03 -41.51 98.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.557 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 20' ' ' PHE . 17.3 p -67.67 -37.73 82.77 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.701 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.66 -45.2 99.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.603 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.16 -42.1 99.52 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -60.42 -42.48 96.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 110.666 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.656 -179.803 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 120.489 0.185 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.82 -44.0 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.681 2.254 . . . . 0.0 112.063 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -142.94 -85.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.408 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -152.1 161.02 43.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.961 0.41 . . . . 0.0 110.313 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.3 pt -59.0 -34.92 54.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.27 -33.8 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.707 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 42.8 t -70.58 -43.45 69.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.779 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.61 -46.81 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.799 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.13 -51.02 71.82 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.932 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 80.9 p -61.14 -38.81 87.72 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.655 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -57.18 -55.84 29.59 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.258 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.31 -40.17 88.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.863 0.363 . . . . 0.0 110.451 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -64.19 -28.23 69.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.608 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.5 m -74.0 -44.97 52.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.647 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.77 -51.29 70.61 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.299 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.75 -25.49 63.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.888 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -63.17 -52.29 62.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.184 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.495 ' O ' HG23 ' B' ' 24' ' ' THR . 0.2 OUTLIER -73.19 -21.76 60.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.485 179.447 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -57.67 4.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.058 0.456 . . . . 0.0 111.034 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.54 93.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -62.11 -41.32 98.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.625 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.495 HG23 ' O ' ' B' ' 20' ' ' PHE . 17.5 p -67.84 -37.7 82.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.764 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 81.9 mt -62.55 -45.32 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.624 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.09 99.62 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -60.28 -42.35 95.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.756 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 87.8 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.686 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.532 0.206 . . . . 0.0 110.78 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -71.78 -44.06 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.703 2.268 . . . . 0.0 112.129 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -142.88 -85.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.337 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -152.05 161.05 43.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.944 0.402 . . . . 0.0 110.301 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.404 HG21 HD13 ' C' ' 7' ' ' ILE . 19.3 pt -59.03 -34.97 54.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.322 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 90.2 mt -72.11 -33.98 68.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.625 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 42.3 t -70.48 -43.57 69.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.682 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.53 -46.83 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.784 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 24.0 t -59.01 -51.2 71.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.93 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -60.85 -39.25 88.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.636 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -56.78 -56.09 26.02 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.225 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.19 -40.21 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.367 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.99 -28.52 69.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.58 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 67.8 m -73.8 -45.18 53.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.563 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.43 -51.46 69.73 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.269 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.47 -26.0 64.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -62.98 -52.31 63.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.033 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.493 ' O ' HG23 ' C' ' 24' ' ' THR . 0.2 OUTLIER -73.04 -21.94 60.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 179.549 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -57.65 5.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.001 0.429 . . . . 0.0 111.021 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.57 93.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.122 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -61.99 -41.65 98.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.584 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' THR . . . . . 0.493 HG23 ' O ' ' C' ' 20' ' ' PHE . 17.7 p -67.44 -37.84 83.62 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.77 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -62.47 -45.32 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.574 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.04 -42.36 99.64 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -60.18 -42.59 95.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.769 0.319 . . . . 0.0 110.649 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.688 -179.777 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.312 0 CA-C-O 120.578 0.228 . . . . 0.0 110.733 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -71.92 -43.86 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.703 2.268 . . . . 0.0 112.114 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -143.06 -85.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.366 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -152.03 161.03 43.27 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.371 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 pt -59.0 -34.98 54.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.33 -33.72 67.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.629 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 41.2 t -70.6 -43.43 69.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.814 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.78 -46.74 93.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.805 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 24.1 t -59.03 -51.12 71.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.955 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -61.12 -38.84 87.78 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.667 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -57.2 -55.73 30.95 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.303 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.42 -40.25 88.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.412 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.01 -28.16 69.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.662 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -74.11 -44.91 52.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.654 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.72 -51.62 69.2 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.218 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.25 -25.78 64.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.934 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -63.05 -52.29 63.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.182 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.49 ' O ' HG23 ' D' ' 24' ' ' THR . 0.2 OUTLIER -73.19 -21.7 60.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.462 179.507 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.41 -57.64 5.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.07 0.462 . . . . 0.0 111.064 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.91 -39.56 93.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.046 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -62.1 -41.33 98.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.652 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 24' ' ' THR . . . . . 0.49 HG23 ' O ' ' D' ' 20' ' ' PHE . 17.5 p -67.88 -37.62 82.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.71 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.59 -45.35 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.624 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.03 -42.18 99.69 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -60.46 -42.16 95.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.765 0.317 . . . . 0.0 110.796 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 110.688 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 110.536 -0.172 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.545 ' CG ' HD11 ' A' ' 10' ' ' ILE . 60.6 Cg_endo -74.37 -38.44 1.98 Allowed 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.335 2.024 . . . . 0.0 112.491 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.73 -84.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.251 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -148.71 161.43 41.78 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.854 0.359 . . . . 0.0 110.366 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.4 mm -64.07 -42.62 96.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.476 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.23 -35.29 76.0 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.744 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.7 p -69.52 -42.27 74.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.356 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.545 HD11 ' CG ' ' A' ' 4' ' ' PRO . 4.1 mm -65.19 -41.68 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.632 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.405 ' O ' HG22 ' A' ' 14' ' ' ILE . 95.9 m -59.39 -50.13 75.15 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.766 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 15' ' ' LEU . 47.8 t -59.8 -40.3 87.88 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.76 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -60.45 -51.61 68.75 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.082 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 11' ' ' CYS . 18.6 tt -66.01 -31.56 54.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.251 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 12' ' ' SER . 19.5 mt -62.11 -63.47 1.24 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.4 p -52.3 -36.87 54.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.887 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.34 -47.35 86.31 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.174 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.09 -36.21 83.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.652 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -37.55 85.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.436 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.86 -36.17 62.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.907 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.1 mtt -72.05 -52.66 15.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.911 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.66 -42.43 98.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.118 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -74.01 -27.54 61.01 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.566 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.83 -55.79 17.4 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.647 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.05 -43.21 92.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.36 -36.51 92.6 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -72.83 -36.2 67.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.913 0.387 . . . . 0.0 111.149 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 -179.523 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 . . . . . 0 CA--C 1.534 0.328 0 N-CA-C 110.485 -0.191 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PRO . . . . . 0.544 ' CG ' HD11 ' B' ' 10' ' ' ILE . 61.1 Cg_endo -74.31 -38.47 2.0 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.375 2.05 . . . . 0.0 112.599 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.71 -84.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.341 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -148.68 161.52 41.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.781 0.324 . . . . 0.0 110.385 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 21.1 mm -64.17 -42.76 96.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.365 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.1 -35.44 76.47 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.736 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 88.4 p -69.34 -42.44 75.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.245 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.544 HD11 ' CG ' ' B' ' 4' ' ' PRO . 4.2 mm -65.04 -41.64 92.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.679 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' CYS . . . . . 0.409 ' O ' HG22 ' B' ' 14' ' ' ILE . 96.7 m -59.48 -50.14 75.07 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.379 -0.529 . . . . 0.0 109.762 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' SER . . . . . 0.423 ' HA ' HD12 ' B' ' 15' ' ' LEU . 47.7 t -59.75 -40.3 87.67 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.727 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -60.37 -51.74 68.2 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.09 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.409 HG22 ' O ' ' B' ' 11' ' ' CYS . 18.6 tt -65.83 -31.6 54.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.335 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' B' ' 12' ' ' SER . 19.6 mt -61.99 -63.95 1.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 88.8 p -51.73 -37.11 49.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.902 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.41 86.24 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.17 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.01 -36.25 83.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -37.74 85.59 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.405 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.56 -36.39 63.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.801 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 59.1 mtt -71.93 -52.52 16.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.909 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.78 99.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.038 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -73.76 -27.8 61.35 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.634 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.58 -56.11 16.08 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.871 0.367 . . . . 0.0 110.468 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.84 -43.23 93.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.25 -36.78 92.94 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -72.45 -36.63 68.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.945 0.402 . . . . 0.0 111.109 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.875 -179.461 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 110.577 -0.157 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 4' ' ' PRO . . . . . 0.546 ' CG ' HD11 ' C' ' 10' ' ' ILE . 61.1 Cg_endo -74.13 -38.6 2.05 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.386 2.058 . . . . 0.0 112.627 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -148.66 -84.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.328 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -148.63 161.56 41.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.777 0.322 . . . . 0.0 110.405 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 mm -64.17 -42.76 96.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.345 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.16 -35.4 76.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.733 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 88.6 p -69.3 -42.4 75.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.328 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.546 HD11 ' CG ' ' C' ' 4' ' ' PRO . 4.1 mm -65.17 -41.56 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 11' ' ' CYS . . . . . 0.401 ' O ' HG22 ' C' ' 14' ' ' ILE . 96.5 m -59.46 -50.12 75.15 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.388 -0.525 . . . . 0.0 109.809 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.429 ' HA ' HD12 ' C' ' 15' ' ' LEU . 47.7 t -59.8 -40.27 87.75 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.714 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -60.4 -51.76 68.11 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.06 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' ILE . . . . . 0.401 HG22 ' O ' ' C' ' 11' ' ' CYS . 18.7 tt -65.81 -31.54 54.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.328 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 15' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' C' ' 12' ' ' SER . 19.5 mt -62.1 -63.66 1.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 88.5 p -52.14 -36.89 52.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.37 86.44 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.23 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.04 -36.44 84.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.658 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.44 -37.69 85.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.419 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.57 -36.39 63.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.984 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 59.2 mtt -71.95 -52.42 17.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.944 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.63 99.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.088 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 24.0 m95 -73.8 -27.69 61.26 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.536 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.66 -56.06 16.19 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.568 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.75 -43.35 93.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.16 -36.79 92.91 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -72.43 -36.62 68.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.928 0.394 . . . . 0.0 111.099 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.822 -179.419 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 4' ' ' PRO . . . . . 0.555 ' HG3' HD11 ' D' ' 10' ' ' ILE . 60.9 Cg_endo -73.58 -38.9 2.21 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.467 2.111 . . . . 0.0 112.545 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.59 -84.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.337 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -148.52 161.51 41.51 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.841 0.353 . . . . 0.0 110.378 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 mm -64.2 -42.62 96.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.387 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.23 -35.32 76.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.751 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 88.5 p -69.42 -42.41 75.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.29 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.555 HD11 ' HG3' ' D' ' 4' ' ' PRO . 4.2 mm -65.08 -41.66 92.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 11' ' ' CYS . . . . . 0.406 ' O ' HG22 ' D' ' 14' ' ' ILE . 95.8 m -59.44 -50.14 75.07 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.421 -0.512 . . . . 0.0 109.761 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 12' ' ' SER . . . . . 0.433 ' HA ' HD12 ' D' ' 15' ' ' LEU . 47.8 t -59.86 -40.21 87.85 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.775 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.38 -51.65 68.58 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.093 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 14' ' ' ILE . . . . . 0.406 HG22 ' O ' ' D' ' 11' ' ' CYS . 18.7 tt -66.12 -31.16 52.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.287 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' D' ' 12' ' ' SER . 18.8 mt -63.4 -60.88 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.458 -0.497 . . . . 0.0 109.877 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 88.0 p -54.01 -36.65 63.21 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.745 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.38 86.27 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.139 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.06 -36.3 83.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.719 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -37.55 85.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.388 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -36.18 62.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.879 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 59.3 mtt -72.13 -52.61 15.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.869 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.66 99.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.088 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -73.85 -27.58 61.16 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.516 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.84 -55.9 16.75 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.606 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.04 -43.2 92.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.37 -36.45 92.52 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -72.81 -36.29 67.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.867 0.365 . . . . 0.0 111.076 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.78 -179.506 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 120.651 0.263 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.561 ' HD2' HD11 ' A' ' 10' ' ' ILE . 44.7 Cg_exo -54.76 -39.71 88.22 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.774 2.316 . . . . 0.0 112.11 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.47 -71.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.474 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -151.32 160.0 44.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.516 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.91 -33.51 49.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.547 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.67 -68.26 0.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.46 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.1 p -47.69 -32.37 5.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.172 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.561 HD11 ' HD2' ' A' ' 4' ' ' PRO . 71.0 mt -70.12 -46.88 70.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 121.11 0.481 . . . . 0.0 111.015 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.1 m -60.78 -48.15 83.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.18 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.8 m -64.52 -30.42 71.45 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.462 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.21 -49.71 76.06 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 120.954 0.407 . . . . 0.0 110.563 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 87.3 mt -66.53 -41.52 88.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.853 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.05 -64.23 1.02 Allowed 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.189 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.6 t -44.19 -38.81 3.96 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . -57.87 -58.07 9.98 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.311 0.577 . . . . 0.0 110.624 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.22 -19.17 65.85 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.909 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.66 -47.96 61.48 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.36 -22.92 57.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.267 0.354 . . . . 0.0 110.777 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 34.4 mmt -71.21 -60.73 2.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.074 0.464 . . . . 0.0 111.29 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.3 90.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.918 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -62.21 -40.85 97.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.452 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.7 m -64.66 -41.87 95.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.794 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.7 -45.25 97.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.535 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.51 -43.34 99.16 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -56.84 -44.54 82.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.638 0.256 . . . . 0.0 110.376 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.722 179.718 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.73 0.3 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PRO . . . . . 0.558 ' HD2' HD11 ' B' ' 10' ' ' ILE . 45.7 Cg_exo -54.71 -39.53 88.84 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.705 2.27 . . . . 0.0 112.151 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.72 -71.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.529 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -151.2 159.76 44.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.61 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 91.0 mt -58.72 -33.65 49.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.469 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.37 -68.92 0.3 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.345 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 90.4 p -47.24 -32.36 4.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.202 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.558 HD11 ' HD2' ' B' ' 4' ' ' PRO . 71.8 mt -70.21 -46.87 70.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.96 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 94.5 m -60.81 -48.24 82.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.107 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.0 m -64.32 -30.52 71.56 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.407 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -61.04 -49.79 75.95 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.033 0.444 . . . . 0.0 110.624 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ILE . . . . . 0.422 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 87.6 mt -66.49 -41.73 89.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.828 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.84 -64.43 0.96 Allowed 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.209 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 39.3 t -44.05 -38.76 3.74 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 14' ' ' ILE . . . -58.0 -57.86 10.95 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.21 0.529 . . . . 0.0 110.56 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.53 -19.11 65.79 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.793 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.7 -47.9 61.51 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.21 -22.99 57.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.745 0.307 . . . . 0.0 110.925 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 34.4 mmt -71.46 -60.75 2.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.025 0.44 . . . . 0.0 111.249 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.34 91.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.971 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -62.21 -41.06 98.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.527 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 17.8 m -64.62 -41.87 95.89 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.708 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.53 -45.35 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.528 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.34 -43.66 98.76 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -56.66 -44.54 81.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.633 0.254 . . . . 0.0 110.32 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.79 179.728 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.723 0.297 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 4' ' ' PRO . . . . . 0.54 ' HD2' HD11 ' C' ' 10' ' ' ILE . 44.2 Cg_exo -54.98 -39.33 91.34 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.766 2.311 . . . . 0.0 112.12 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.9 -71.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.534 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -150.98 159.92 44.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 92.2 mt -58.93 -33.31 49.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.064 0.459 . . . . 0.0 110.644 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.74 -68.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.429 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 89.6 p -47.52 -32.35 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.142 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.54 HD11 ' HD2' ' C' ' 4' ' ' PRO . 71.5 mt -70.27 -46.8 70.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.016 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 88.4 m -60.92 -48.25 82.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.132 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 64.1 m -64.25 -30.6 71.65 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.408 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -60.95 -49.82 75.92 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.016 0.436 . . . . 0.0 110.596 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' ILE . . . . . 0.426 ' O ' ' HB3' ' C' ' 17' ' ' ALA . 88.2 mt -66.45 -41.82 89.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.824 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.82 -64.22 1.03 Allowed 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.189 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 39.4 t -44.23 -38.8 4.02 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' C' ' 14' ' ' ILE . . . -57.87 -57.78 11.28 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.233 0.54 . . . . 0.0 110.596 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.64 -19.15 65.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.838 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.63 -47.92 61.77 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.27 -23.09 57.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 34.3 mmt -71.15 -60.61 2.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.047 0.451 . . . . 0.0 111.44 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.13 90.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.941 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -62.15 -41.12 97.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.469 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 17.7 m -64.53 -41.93 96.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.67 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.47 -45.49 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.579 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.34 -43.85 98.49 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -56.21 -44.78 79.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.736 0.303 . . . . 0.0 110.363 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.794 179.727 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.672 0.272 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 4' ' ' PRO . . . . . 0.551 ' HD2' HD11 ' D' ' 10' ' ' ILE . 44.2 Cg_exo -54.88 -39.89 88.03 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.74 2.293 . . . . 0.0 112.093 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.29 -71.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.495 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -151.37 160.02 43.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.511 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 90.7 mt -59.02 -32.74 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.435 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.24 -63.98 0.96 Allowed 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.555 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 90.3 p -50.14 -32.18 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.551 HD11 ' HD2' ' D' ' 4' ' ' PRO . 71.4 mt -70.29 -47.11 68.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.002 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 88.3 m -60.74 -47.74 84.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.23 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 61.4 m -64.79 -30.58 71.6 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.461 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -61.02 -49.72 76.29 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 120.956 0.408 . . . . 0.0 110.619 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 14' ' ' ILE . . . . . 0.409 ' O ' ' HB3' ' D' ' 17' ' ' ALA . 88.2 mt -66.53 -41.37 88.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.746 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.38 -61.27 2.56 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.256 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 40.5 t -46.22 -38.47 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 17' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' D' ' 14' ' ' ILE . . . -57.94 -57.55 12.32 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.339 0.59 . . . . 0.0 110.657 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.86 -19.13 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.929 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.83 -47.45 62.69 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -22.96 55.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.697 0.284 . . . . 0.0 110.82 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 34.3 mmt -71.19 -60.2 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.018 0.437 . . . . 0.0 111.332 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.57 -40.23 88.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.993 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -62.18 -40.45 96.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.486 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 17.8 m -65.13 -41.68 94.62 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.753 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.91 -45.13 98.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.48 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.56 -43.35 99.13 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -56.97 -44.36 82.54 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.791 179.593 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 120.394 0.14 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -75.96 -53.34 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.562 2.175 . . . . 0.0 112.116 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -131.57 -82.55 0.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.413 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -154.05 161.88 41.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.442 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.4 pt -56.31 -32.45 35.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.4 tp -71.45 -34.43 70.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.531 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.7 m -70.97 -42.17 70.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.875 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.77 -45.2 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.802 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.9 m -59.56 -50.72 72.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.195 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -60.38 -38.36 83.66 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.56 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -57.36 12.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.183 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 14' ' ' ILE . 23.3 pt -63.89 -40.18 88.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.08 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.72 -28.4 69.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.108 0.48 . . . . 0.0 110.303 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.6 m -74.07 -44.71 53.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.665 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.1 90.34 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.985 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 tp -73.0 -27.21 61.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.764 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -63.78 -51.5 64.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.47 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -24.19 56.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.561 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.1 mtt -70.29 -59.75 2.69 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.193 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.07 -38.76 92.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.918 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -66.29 -41.52 89.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -63.94 -51.15 65.75 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.526 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 26' ' ' GLY . 34.3 pt -58.57 -40.94 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.383 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.445 ' N ' HG13 ' A' ' 25' ' ' ILE . . . -64.3 -42.95 97.59 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -59.04 -43.58 91.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.73 0.3 . . . . 0.0 110.641 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.547 -179.689 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 110.659 -0.126 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.24 -53.15 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 122.53 2.153 . . . . 0.0 112.182 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.78 -82.48 0.51 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.408 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -154.24 161.71 41.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.421 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 pt -56.13 -32.47 34.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.339 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 29.0 tp -71.39 -34.62 70.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.532 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 71.9 m -70.84 -42.32 70.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.81 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.46 -45.38 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.767 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 96.0 m -59.6 -50.61 73.19 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.221 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.1 m -60.43 -38.44 84.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.508 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.34 -57.63 11.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.091 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 23.2 pt -63.62 -40.12 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.956 0.408 . . . . 0.0 111.142 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 63.8 mt -64.8 -28.36 69.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.125 0.488 . . . . 0.0 110.284 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 68.9 m -74.05 -44.82 52.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.654 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.2 89.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.939 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 28.2 tp -72.9 -27.22 61.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -63.77 -51.5 64.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.54 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.46 -24.39 56.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.539 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 30.2 mtt -70.22 -59.65 2.75 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.594 -0.443 . . . . 0.0 111.244 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.7 91.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.867 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -66.28 -41.5 89.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.052 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -63.96 -51.25 65.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.448 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ILE . . . . . 0.45 HG13 ' N ' ' B' ' 26' ' ' GLY . 34.3 pt -58.47 -40.97 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.439 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLY . . . . . 0.45 ' N ' HG13 ' B' ' 25' ' ' ILE . . . -64.28 -43.1 97.45 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -59.04 -43.68 91.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.731 0.3 . . . . 0.0 110.598 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.429 -179.65 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 120.332 0.111 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -76.03 -53.23 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 122.518 2.145 . . . . 0.0 112.119 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -131.7 -82.53 0.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.457 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -154.01 161.9 41.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.468 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 pt -56.27 -32.48 35.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 29.2 tp -71.47 -34.43 70.19 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.469 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 71.9 m -70.99 -42.15 70.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.915 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.65 -45.27 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 96.4 m -59.54 -50.7 72.88 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.241 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.6 m -60.49 -38.18 83.47 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.51 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.5 -57.36 12.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.171 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 22.8 pt -63.89 -40.3 88.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.064 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 63.4 mt -64.61 -28.37 69.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.208 0.527 . . . . 0.0 110.323 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -73.95 -44.79 53.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.696 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.92 91.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.03 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 tp -73.06 -27.18 61.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.741 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -63.78 -51.65 63.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.508 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -24.25 57.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.545 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 30.1 mtt -70.33 -59.68 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.218 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.06 -38.88 92.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -66.12 -41.58 90.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.053 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 16.5 m -63.95 -51.2 65.5 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.446 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' ILE . . . . . 0.437 HG13 ' N ' ' C' ' 26' ' ' GLY . 34.6 pt -58.51 -41.11 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.375 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 26' ' ' GLY . . . . . 0.437 ' N ' HG13 ' C' ' 25' ' ' ILE . . . -64.19 -43.09 97.59 Favored Glycine 0 C--N 1.332 0.355 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -58.97 -43.6 91.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.776 0.322 . . . . 0.0 110.668 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.508 -179.736 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 . . . . . 0 CA--C 1.533 0.312 0 CA-C-O 120.394 0.14 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -74.41 -54.13 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.397 0 C-N-CA 122.612 2.208 . . . . 0.0 112.165 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.41 -82.47 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.425 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -154.14 161.89 41.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.54 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 30.6 pt -56.3 -32.49 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.312 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 29.1 tp -71.35 -34.62 70.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.443 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 72.5 m -70.86 -42.22 70.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.827 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.7 -45.23 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.737 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 95.6 m -59.52 -50.83 72.39 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.195 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 71.3 m -60.23 -38.45 83.47 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.499 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -57.5 11.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.067 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 22.9 pt -63.77 -40.19 88.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 120.916 0.389 . . . . 0.0 111.063 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 63.3 mt -64.77 -28.38 69.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.131 0.491 . . . . 0.0 110.242 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 68.6 m -73.75 -45.03 54.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.696 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.18 89.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.052 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 tp -72.87 -27.27 61.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.785 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -63.7 -51.7 63.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.473 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -24.35 57.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.551 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 30.1 mtt -70.15 -59.59 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.516 -0.473 . . . . 0.0 111.202 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.94 92.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.86 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -66.2 -41.58 89.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -63.8 -51.36 65.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.457 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 25' ' ' ILE . . . . . 0.454 HG13 ' N ' ' D' ' 26' ' ' GLY . 34.5 pt -58.32 -41.11 80.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.451 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 26' ' ' GLY . . . . . 0.454 ' N ' HG13 ' D' ' 25' ' ' ILE . . . -64.17 -43.15 97.53 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -58.83 -43.85 90.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.746 0.308 . . . . 0.0 110.662 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.514 -179.624 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.545 0.212 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.432 ' HD2' HD11 ' A' ' 10' ' ' ILE . 35.4 Cg_exo -57.07 -39.78 88.51 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.623 2.215 . . . . 0.0 112.049 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -143.1 -81.73 0.19 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.632 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -149.16 168.06 24.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.03 -41.35 85.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.633 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.38 -35.24 80.24 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.638 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -70.78 -41.33 71.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.795 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.432 HD11 ' HD2' ' A' ' 4' ' ' PRO . 6.2 mm -64.64 -44.01 96.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.997 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m -60.5 -50.98 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.379 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -58.66 -38.17 77.58 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.366 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -50.93 71.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.079 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.2 -41.14 91.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.599 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.39 -63.18 1.37 Allowed 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.942 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.0 m -45.48 -40.53 8.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.226 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.73 -61.39 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.413 . . . . 0.0 110.6 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.71 -19.48 63.95 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.086 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 23' ' ' TRP . 3.5 t-80 -69.44 -49.42 55.18 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.026 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.487 ' O ' HG23 ' A' ' 24' ' ' THR . 0.2 OUTLIER -73.76 -23.53 59.74 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.974 179.384 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 80.3 mmm -69.48 -55.41 10.33 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.588 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.24 -38.68 82.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.16 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.408 ' HB2' ' O ' ' A' ' 19' ' ' HIS . 3.9 t90 -62.88 -40.25 96.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.583 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 20' ' ' PHE . 17.8 p -68.2 -39.17 82.52 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.813 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.8 mt -62.61 -46.39 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.641 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.42 99.9 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.28 -44.12 83.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.746 0.308 . . . . 0.0 110.393 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.481 179.771 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 . . . . . 0 CA--C 1.53 0.174 0 CA-C-O 120.581 0.229 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PRO . . . . . 0.42 ' HD2' HD11 ' B' ' 10' ' ' ILE . 35.3 Cg_exo -57.14 -39.68 88.83 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 122.597 2.198 . . . . 0.0 112.07 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -143.12 -81.93 0.19 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.642 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -149.06 168.0 24.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.509 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.01 -41.23 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.645 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.46 -35.25 80.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.633 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 75.2 m -70.76 -41.33 71.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.848 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ILE . . . . . 0.42 HD11 ' HD2' ' B' ' 4' ' ' PRO . 6.2 mm -64.55 -44.08 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.021 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 82.9 m -60.54 -51.02 71.23 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.295 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 58.5 m -58.66 -38.13 77.48 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.415 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.2 -50.82 72.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.227 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.29 -41.19 91.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.532 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.22 -63.5 1.27 Allowed 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -45.22 -40.51 7.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.262 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.65 -61.72 2.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.975 0.416 . . . . 0.0 110.572 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.45 -19.45 63.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.124 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' HIS . . . . . 0.417 ' O ' ' HB2' ' B' ' 23' ' ' TRP . 3.4 t-80 -69.48 -49.31 55.94 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.108 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.487 ' O ' HG23 ' B' ' 24' ' ' THR . 0.2 OUTLIER -73.87 -23.35 59.59 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.965 179.393 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 80.3 mmm -69.59 -55.48 9.98 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.556 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.88 83.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.257 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.417 ' HB2' ' O ' ' B' ' 19' ' ' HIS . 4.0 t90 -62.92 -40.14 96.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.54 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' THR . . . . . 0.487 HG23 ' O ' ' B' ' 20' ' ' PHE . 17.8 p -68.25 -39.14 82.33 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.84 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 79.8 mt -62.69 -46.43 96.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.591 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.95 -41.34 99.91 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.35 -44.05 83.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.786 0.327 . . . . 0.0 110.42 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.471 179.737 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.539 0.209 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 4' ' ' PRO . . . . . 0.421 ' HD2' HD11 ' C' ' 10' ' ' ILE . 35.7 Cg_exo -57.18 -39.81 87.66 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 122.654 2.236 . . . . 0.0 112.074 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -142.98 -81.66 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.637 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -149.39 167.94 24.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.538 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.02 -41.17 85.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.693 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.44 -35.34 80.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.628 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -70.69 -41.37 72.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.763 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.421 HD11 ' HD2' ' C' ' 4' ' ' PRO . 6.1 mm -64.56 -44.04 96.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.983 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 82.4 m -60.54 -50.9 71.71 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.303 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -58.74 -38.25 77.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.384 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -51.03 71.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.104 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 87.5 mt -64.2 -41.06 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.563 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.44 -63.02 1.42 Allowed 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 69.6 m -45.45 -40.82 8.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.203 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.56 -61.43 2.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.97 0.415 . . . . 0.0 110.657 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.73 -19.23 63.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.086 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -69.74 -49.27 54.72 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.057 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.495 ' O ' HG23 ' C' ' 24' ' ' THR . 0.2 OUTLIER -73.7 -23.73 59.84 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.916 179.376 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 80.4 mmm -69.35 -55.45 10.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.037 0.446 . . . . 0.0 111.558 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.17 -38.64 82.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.208 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -62.95 -40.28 97.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.518 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' THR . . . . . 0.495 HG23 ' O ' ' C' ' 20' ' ' PHE . 17.7 p -68.14 -39.25 82.72 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.821 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.61 -46.26 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.636 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.09 -41.44 99.78 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.671 -0.971 . . . . 0.0 110.671 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -57.34 -44.2 84.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.678 0.275 . . . . 0.0 110.388 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.442 179.799 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 . . . . . 0 CA--C 1.531 0.231 0 CA-C-O 120.506 0.193 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 4' ' ' PRO . . . . . 0.408 ' HD2' HD11 ' D' ' 10' ' ' ILE . 34.6 Cg_exo -57.16 -39.84 87.51 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.651 2.234 . . . . 0.0 112.034 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -143.02 -81.59 0.19 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.664 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -149.37 167.93 24.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.481 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 81.7 mt -59.94 -41.38 85.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.649 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.32 -35.36 80.61 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.58 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 75.8 m -70.68 -41.29 72.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.845 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.408 HD11 ' HD2' ' D' ' 4' ' ' PRO . 6.2 mm -64.5 -44.07 96.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.986 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 83.9 m -60.55 -51.03 71.14 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.25 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 59.0 m -58.56 -38.36 77.68 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.38 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -50.94 71.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.2 -41.08 91.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.496 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.45 -60.41 3.59 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.126 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -47.2 -40.6 16.46 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.85 -60.6 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.659 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.38 -19.32 64.56 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.12 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 19' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' D' ' 23' ' ' TRP . 3.5 t-80 -69.53 -49.64 52.53 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.868 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.488 ' O ' HG23 ' D' ' 24' ' ' THR . 0.2 OUTLIER -73.49 -23.79 60.09 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.928 179.514 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 80.1 mmm -69.42 -55.41 10.41 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.535 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.17 -38.71 82.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.193 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 23' ' ' TRP . . . . . 0.408 ' HB2' ' O ' ' D' ' 19' ' ' HIS . 4.0 t90 -62.83 -40.43 97.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.436 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 24' ' ' THR . . . . . 0.488 HG23 ' O ' ' D' ' 20' ' ' PHE . 17.6 p -68.03 -39.2 83.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.781 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.65 -46.32 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.595 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.65 99.85 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.09 -44.39 83.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.729 0.3 . . . . 0.0 110.356 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.473 179.827 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -59.94 -48.81 80.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.627 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -75.69 159.2 81.89 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.859 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.614 ' HD2' HD11 ' A' ' 10' ' ' ILE . 52.1 Cg_exo -51.78 -37.16 64.85 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.573 2.182 . . . . 0.0 111.979 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.69 -71.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.298 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -160.87 160.52 31.12 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.61 -41.95 92.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.925 0.393 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.4 mt -68.55 -34.52 75.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -71.41 -43.5 66.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.238 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.614 HD11 ' HD2' ' A' ' 4' ' ' PRO . 84.8 mt -65.65 -45.25 92.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.0 m -60.79 -51.05 70.99 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.586 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -59.83 -38.06 80.97 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.571 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -59.75 -50.12 75.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.0 mt -67.46 -41.55 86.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.764 0.316 . . . . 0.0 110.971 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.7 -24.94 67.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.686 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.6 p -82.74 -41.37 19.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.766 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.59 -48.43 81.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.039 0.447 . . . . 0.0 110.196 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.9 -41.26 78.46 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.329 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -52.68 -44.34 66.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.469 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -25.87 53.45 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.326 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.1 mtt -71.02 -59.93 2.51 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.664 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.92 97.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 32.4 t90 -63.43 -37.85 88.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.807 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.7 m -66.82 -43.35 84.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.313 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.24 -42.94 97.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.873 0.368 . . . . 0.0 110.446 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.64 -39.54 98.03 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -69.28 -38.96 78.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.791 0.329 . . . . 0.0 111.2 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.65 141.78 57.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.777 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -136.95 136.07 38.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.489 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -100.22 127.73 46.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.574 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.7 pt -137.38 147.66 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.607 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -127.43 100.17 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.547 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.505 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.91 -48.78 80.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.718 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 59.6 mp0 -75.81 159.27 81.47 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.928 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.616 ' HD2' HD11 ' B' ' 10' ' ' ILE . 51.5 Cg_exo -51.72 -37.34 64.52 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.637 2.225 . . . . 0.0 111.929 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.57 -71.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.365 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -160.76 160.61 31.5 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.67 -42.21 93.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.85 0.357 . . . . 0.0 110.753 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 64.1 mt -68.03 -35.09 77.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.942 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.6 t -70.94 -43.69 67.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.142 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.616 HD11 ' HD2' ' B' ' 4' ' ' PRO . 85.7 mt -65.43 -45.28 93.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 94.6 m -60.7 -51.2 70.38 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.549 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.7 m -59.63 -38.31 81.02 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.477 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.56 -50.24 74.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.1 mt -67.19 -41.78 87.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.003 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.34 -25.5 68.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.592 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 59.6 p -82.06 -41.89 19.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.699 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.27 -48.57 81.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.189 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.61 -41.29 79.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.366 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -52.62 -44.94 66.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.396 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -26.34 56.22 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.292 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 46.5 mtt -70.73 -59.91 2.55 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.724 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.01 -41.86 97.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.78 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -63.33 -38.52 91.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.715 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 8.2 m -66.15 -43.88 85.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.31 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.84 -42.84 96.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.396 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.66 -40.01 98.62 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -68.62 -39.84 80.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 111.15 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.95 142.01 58.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.735 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -137.17 136.17 37.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.498 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -100.18 127.66 46.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.581 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 46.8 pt -137.31 147.96 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -127.78 100.25 5.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.564 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.531 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -59.96 -48.91 79.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.633 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 59.6 mp0 -75.67 159.23 81.86 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' PRO . . . . . 0.601 ' HD2' HD11 ' C' ' 10' ' ' ILE . 52.3 Cg_exo -51.71 -37.0 63.77 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.555 2.17 . . . . 0.0 112.055 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.9 -71.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.442 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -161.18 160.7 30.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.096 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.73 -42.52 94.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.875 0.369 . . . . 0.0 110.762 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 63.4 mt -67.73 -35.37 78.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 46.7 t -70.74 -43.67 68.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.1 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.601 HD11 ' HD2' ' C' ' 4' ' ' PRO . 85.5 mt -65.5 -45.13 93.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 93.9 m -60.89 -51.2 70.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.574 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.7 m -59.45 -38.48 80.85 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.458 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -59.4 -50.25 74.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 94.7 mt -67.13 -42.02 87.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.033 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.05 -25.86 68.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.587 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 59.6 p -81.57 -42.04 20.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.731 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.75 80.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.139 0.495 . . . . 0.0 110.152 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.46 -41.45 80.17 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.284 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -52.3 -45.29 65.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.374 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -26.23 56.43 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.265 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 46.3 mtt -70.78 -60.04 2.47 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.686 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.89 97.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.821 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -63.12 -38.76 92.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.712 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 8.1 m -66.05 -44.09 85.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.288 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.58 -43.0 96.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.414 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.45 -40.31 98.91 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -68.23 -40.09 82.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 111.148 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.62 142.16 58.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.717 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -137.35 136.23 37.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.468 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -100.39 127.62 46.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.582 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 46.8 pt -137.34 147.58 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.576 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -127.39 100.35 6.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.514 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.507 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.9 -48.94 79.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.653 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -75.61 159.3 81.83 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' PRO . . . . . 0.62 ' HD2' HD11 ' D' ' 10' ' ' ILE . 52.5 Cg_exo -51.92 -36.87 65.62 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.64 2.227 . . . . 0.0 111.985 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.04 -71.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.344 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -161.23 160.69 30.27 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.69 -42.37 94.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.785 0.326 . . . . 0.0 110.748 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 63.9 mt -68.02 -34.87 77.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -71.28 -43.42 67.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.141 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.62 HD11 ' HD2' ' D' ' 4' ' ' PRO . 85.0 mt -65.7 -45.05 93.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 92.0 m -60.96 -51.23 70.14 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.496 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 74.4 m -59.65 -38.09 80.47 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.5 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.74 -50.0 75.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.984 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 94.2 mt -67.44 -41.64 86.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.862 0.363 . . . . 0.0 111.035 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 45.2 mt -64.44 -25.43 68.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.666 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 63.7 p -82.17 -41.61 20.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.643 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.43 81.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.126 0.489 . . . . 0.0 110.193 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -68.77 -41.48 78.76 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.228 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -52.35 -44.92 65.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.457 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.41 -25.98 55.06 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.263 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 46.0 mtt -70.97 -60.04 2.45 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.683 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.79 97.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -63.18 -38.36 90.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.757 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 7.8 m -66.44 -43.71 84.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.273 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.02 -42.97 96.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.415 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.48 -39.91 98.42 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -68.67 -39.63 80.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 111.063 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.07 141.98 57.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -137.22 136.08 37.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.504 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -100.17 127.69 46.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.536 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 pt -137.5 146.56 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.699 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt -125.9 100.27 6.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.77 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.513 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -99.24 119.74 38.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.514 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -74.7 157.93 85.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.591 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -50.62 -42.52 49.59 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.549 2.166 . . . . 0.0 112.079 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -157.45 -58.4 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.486 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -172.52 170.02 4.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.475 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.8 mp -59.08 -39.35 78.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.542 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.85 -32.57 73.83 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.42 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.5 m -74.59 -38.84 62.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.083 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.7 -46.76 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.728 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.0 m -62.04 -51.21 68.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.97 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.5 t -55.4 -40.23 71.16 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.355 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.7 -47.83 84.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.37 -43.18 97.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 121.094 0.473 . . . . 0.0 110.583 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.88 -28.23 69.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.418 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.9 m -73.59 -45.7 51.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.859 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.72 -51.86 67.81 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.134 0.492 . . . . 0.0 110.207 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.3 -39.61 89.45 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.057 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -49.6 -53.14 25.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.818 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -22.25 58.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.247 0.342 . . . . 0.0 111.002 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.7 mtp -70.92 -61.81 1.62 Allowed 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.425 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.23 -40.91 94.69 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.042 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 71.3 t90 -61.9 -42.89 99.61 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.669 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.6 m -63.73 -43.82 95.36 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.25 -45.77 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.356 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.09 -43.5 98.23 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.79 -43.21 76.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.828 0.347 . . . . 0.0 110.353 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.5 tp -85.24 138.77 32.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.635 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.37 118.15 21.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.339 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -114.25 121.09 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.442 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.4 mt -119.28 122.49 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.39 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -104.84 119.86 40.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.469 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.1 ptt-85 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.602 -179.923 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -99.19 119.51 37.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.816 0.341 . . . . 0.0 110.488 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -74.45 157.77 85.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.588 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -50.41 -42.58 47.87 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.507 2.138 . . . . 0.0 112.208 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -157.36 -58.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.546 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -172.35 169.99 5.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.395 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.4 ' H ' HD12 ' B' ' 7' ' ' ILE . 2.8 mp -59.09 -39.3 78.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.549 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.77 -32.49 73.65 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.465 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 64.4 m -74.81 -38.76 62.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.147 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.71 -46.78 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.698 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.93 -51.13 69.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.1 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.8 t -55.63 -40.0 71.59 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.392 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.87 -47.74 84.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.603 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.3 -43.29 97.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.14 0.495 . . . . 0.0 110.658 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 63.4 mt -62.91 -28.05 69.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.281 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 73.0 m -73.67 -45.64 51.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.94 -51.89 67.78 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.176 0.512 . . . . 0.0 110.256 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.18 -39.66 89.9 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.023 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -49.51 -53.1 25.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.896 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -22.09 58.78 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 123.37 0.419 . . . . 0.0 111.052 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 3.7 mtp -71.04 -62.02 1.55 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.344 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.95 95.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.072 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 70.9 t90 -61.96 -42.82 99.55 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.731 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m -64.01 -43.43 95.64 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.928 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.49 -45.83 97.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.317 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.09 -43.29 98.43 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -43.05 77.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.375 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 50.7 tp -85.38 138.54 32.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.705 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -79.13 118.03 20.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.368 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -114.07 121.31 43.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.38 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 75.7 mt -119.6 122.43 68.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.343 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -104.83 120.0 40.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.507 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 ptt-85 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.626 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -99.19 119.82 38.51 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.595 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -74.71 157.79 85.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.577 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -50.4 -42.66 47.55 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.554 2.169 . . . . 0.0 112.159 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -157.29 -58.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -172.42 170.12 5.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.421 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.4 HD12 ' H ' ' C' ' 7' ' ' ILE . 2.9 mp -59.2 -39.31 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.569 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.65 -32.62 73.71 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.146 0.498 . . . . 0.0 110.486 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 63.0 m -74.81 -38.68 62.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.122 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.84 -46.57 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.687 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 85.0 m -62.12 -51.16 69.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.04 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 37.9 t -55.54 -40.2 71.56 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.278 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -59.64 -47.91 83.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.611 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.24 -43.24 97.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-O 121.084 0.469 . . . . 0.0 110.585 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 63.3 mt -63.02 -28.01 69.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.282 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 73.4 m -73.64 -45.75 50.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.779 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.76 -52.02 67.15 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.211 0.529 . . . . 0.0 110.2 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 74.2 mt -66.14 -39.62 89.97 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.069 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -49.57 -53.21 25.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.742 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -22.27 58.89 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 123.315 0.384 . . . . 0.0 111.086 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 3.6 mtp -70.98 -61.88 1.6 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.36 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.91 94.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.062 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -61.93 -42.97 99.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.651 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m -63.81 -43.63 95.67 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.33 -45.96 97.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.397 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.01 -43.43 98.2 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -43.18 76.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.807 0.337 . . . . 0.0 110.361 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 51.5 tp -85.27 138.72 32.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.67 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -79.33 118.25 21.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.864 0.364 . . . . 0.0 110.347 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -114.33 121.18 42.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.358 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 75.9 mt -119.5 122.41 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.342 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -104.77 119.93 40.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.446 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 ptt-85 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.631 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -99.15 119.94 38.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.588 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -74.9 157.98 85.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.585 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.61 -42.61 49.17 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.496 2.131 . . . . 0.0 112.121 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -157.32 -58.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.423 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -172.31 170.06 5.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.426 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -59.04 -39.31 78.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.551 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.89 -32.52 73.8 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.457 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 63.5 m -74.67 -38.92 62.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.139 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.8 -46.63 93.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 85.8 m -62.02 -51.1 69.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.01 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -55.6 -40.1 71.63 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.411 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.87 -47.75 84.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.29 -43.19 97.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.08 0.467 . . . . 0.0 110.596 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 64.5 mt -63.12 -27.93 69.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -73.91 -45.57 49.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.765 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.85 67.88 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.152 0.501 . . . . 0.0 110.167 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.21 -39.73 89.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 110.035 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -49.65 -52.85 27.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.822 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -22.34 58.37 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.339 0.4 . . . . 0.0 111.025 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 3.6 mtp -70.96 -61.45 1.76 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.98 0.419 . . . . 0.0 111.476 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.02 93.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.063 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 70.6 t90 -61.84 -42.74 99.41 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.678 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 18.8 m -63.91 -43.62 95.4 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.978 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.46 -45.75 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.377 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.14 -43.33 98.46 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.94 -43.13 77.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 110.347 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 52.0 tp -85.23 139.52 31.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.582 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -80.45 118.51 22.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.168 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -114.49 120.82 41.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.42 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 75.9 mt -119.08 122.55 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.348 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -104.87 119.62 39.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.418 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 . . . . . 0 C--O 1.218 -0.585 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.668 179.922 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 mtt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -99.4 4.62 46.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.807 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -65.5 122.31 79.65 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.318 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -71.47 -33.76 10.44 Favored 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.107 1.871 . . . . 0.0 112.406 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -155.17 -79.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.63 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -148.91 166.65 27.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.484 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.88 -38.77 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.357 0.598 . . . . 0.0 110.473 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.88 -34.95 74.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.2 t -68.23 -44.29 76.05 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.856 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 pt -68.92 -30.96 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.217 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -63.13 -52.37 62.79 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.8 t -60.26 -36.55 78.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.492 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -59.24 -50.72 72.93 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.41 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 11.6 mm -66.1 -39.62 84.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.351 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.08 -63.43 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.7 m -47.81 -36.51 11.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.236 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . -59.82 -53.38 58.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.263 0.554 . . . . 0.0 110.79 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -70.42 -20.39 62.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.707 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -68.98 -45.31 70.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.119 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.37 -23.11 47.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.74 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.73 -60.43 2.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.194 0.521 . . . . 0.0 111.026 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.36 95.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.989 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -62.26 -37.09 84.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.569 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -65.88 -43.63 87.74 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.004 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.02 -43.84 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.42 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.5 -41.09 99.81 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -60.12 -42.55 94.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.0 mt -73.01 141.37 47.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.58 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -98.17 141.99 30.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.639 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -106.89 127.71 53.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.826 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.4 pt -141.06 153.67 20.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.581 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -111.9 121.52 45.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.37 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.613 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 41.1 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -99.41 4.48 46.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.849 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -65.4 122.29 79.37 Favored Pre-proline 0 CA--C 1.538 0.512 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.337 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -71.54 -33.75 10.3 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 122.086 1.857 . . . . 0.0 112.362 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -155.14 -79.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.626 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -149.16 166.56 28.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.418 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.77 -38.73 74.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.278 0.561 . . . . 0.0 110.5 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.79 -35.19 74.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.0 t -67.9 -44.67 76.41 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.809 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 43.3 pt -68.48 -31.15 50.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.263 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 52.9 t -63.03 -52.28 63.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.0 t -60.29 -36.76 78.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.461 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -59.07 -50.92 72.21 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.051 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.416 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 11.6 mm -66.03 -39.49 84.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.367 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.09 -63.62 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 58.0 m -47.39 -36.9 10.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 110.184 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' B' ' 14' ' ' ILE . . . -59.59 -53.56 56.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.219 0.533 . . . . 0.0 110.708 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -70.39 -20.15 62.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -69.24 -45.24 70.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.186 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.26 -23.33 47.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.745 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.53 -60.59 2.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.117 0.484 . . . . 0.0 110.977 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.68 -42.32 95.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.005 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 48.1 t90 -62.25 -37.19 84.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.521 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -65.71 -43.85 87.86 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.964 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.86 -43.76 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.449 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.61 -41.2 99.84 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -60.06 -42.7 95.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.828 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -72.89 141.26 47.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.643 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -98.08 141.99 30.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -106.83 127.77 53.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 44.5 pt -141.09 153.74 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.587 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -112.09 121.66 45.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.326 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.555 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.1 mtt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -99.48 4.55 46.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.808 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -65.38 122.26 79.18 Favored Pre-proline 0 CA--C 1.537 0.474 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.328 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -71.44 -33.88 10.32 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.088 1.858 . . . . 0.0 112.406 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -155.05 -79.66 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.62 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -148.86 166.67 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.529 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.83 -38.8 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.333 0.587 . . . . 0.0 110.501 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.77 -35.16 74.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 37.2 t -68.01 -44.46 76.48 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.781 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 pt -68.79 -31.01 49.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.174 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 53.1 t -63.19 -52.36 62.64 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 47.0 t -60.21 -36.64 78.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -59.1 -50.88 72.37 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ILE . . . . . 0.408 ' O ' ' HB3' ' C' ' 17' ' ' ALA . 11.5 mm -66.05 -39.62 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.388 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 52.6 mt -58.06 -63.47 1.25 Allowed 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 57.8 m -47.67 -36.62 11.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.744 0.307 . . . . 0.0 110.186 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' C' ' 14' ' ' ILE . . . -59.77 -53.4 58.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.257 0.551 . . . . 0.0 110.781 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.7 mt -70.38 -20.45 62.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.708 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -68.95 -45.38 70.88 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.111 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.3 -23.17 47.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.763 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 19.3 mmt -70.52 -60.46 2.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.138 0.494 . . . . 0.0 111.062 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.78 -42.31 95.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.949 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -62.24 -37.25 84.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -65.7 -43.82 88.02 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.954 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.83 -43.82 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.502 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.53 -41.21 99.81 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -60.05 -42.66 94.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -72.92 141.34 47.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.678 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -98.13 142.05 30.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -106.92 127.69 53.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.822 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 44.4 pt -141.06 153.77 20.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.587 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -112.02 121.54 45.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.332 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 . . . . . 0 C--O 1.219 -0.548 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.598 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 41.2 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -99.39 4.46 46.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.743 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -65.41 122.3 79.44 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.352 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -71.45 -33.87 10.33 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 122.095 1.864 . . . . 0.0 112.342 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -155.12 -79.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.711 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -149.23 166.54 28.57 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.393 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.81 -38.65 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.311 0.577 . . . . 0.0 110.479 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.87 -35.22 74.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 37.1 t -67.91 -44.61 76.53 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.827 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 pt -68.51 -31.18 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.287 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -63.06 -52.28 63.39 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -60.36 -36.77 78.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.368 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -58.93 -51.07 71.64 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.019 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 11.6 mm -66.01 -39.18 83.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.35 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 50.2 mt -59.59 -60.75 3.35 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.873 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 57.8 m -49.17 -36.58 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.175 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.67 -53.54 56.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.227 0.537 . . . . 0.0 110.727 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 59.3 mt -70.28 -20.23 63.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.729 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -69.22 -45.28 70.22 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.123 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.2 -23.48 47.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.726 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.39 -60.59 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.202 0.525 . . . . 0.0 111.042 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.21 95.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.078 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 47.9 t90 -62.3 -37.24 84.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.583 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -65.73 -43.78 88.0 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.984 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.97 -43.55 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.48 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.74 -41.19 99.88 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -60.03 -42.69 94.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.751 0.31 . . . . 0.0 110.845 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt -72.92 141.3 47.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.625 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -98.08 142.08 30.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.549 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -106.91 127.85 53.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 44.5 pt -141.2 153.43 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.647 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -111.79 121.64 45.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.337 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.516 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.7 mtp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -62.97 -42.11 99.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.715 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -73.39 153.38 90.05 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.784 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.72 -39.87 0.62 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.583 2.189 . . . . 0.0 112.085 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.98 -75.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.525 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -147.5 163.08 37.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.613 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.4 pt -59.09 -32.49 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.101 0.477 . . . . 0.0 110.543 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.0 mt -72.42 -32.32 66.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.895 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -71.91 -42.27 66.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.307 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.5 pt -71.05 -35.25 58.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.636 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.6 m -64.52 -52.43 57.79 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.536 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.4 p -62.45 -32.51 73.4 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.171 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -59.98 -50.34 74.14 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 mm -67.04 -44.48 88.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.982 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.23 -27.16 69.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.486 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -75.06 -44.88 45.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.562 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.52 -46.82 87.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.406 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.53 -23.47 58.81 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.498 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -66.34 -50.1 64.73 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.111 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -23.6 56.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.44 -60.23 2.39 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.349 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.82 93.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.232 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -63.08 -40.97 99.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.631 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 m -65.53 -43.1 91.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.092 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.3 -44.04 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.518 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.47 -41.97 99.74 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -61.05 -42.0 97.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.659 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.67 118.18 18.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.706 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -120.36 125.28 47.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.468 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -122.9 130.49 52.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.427 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.0 pt -133.59 153.09 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -102.53 128.67 49.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.469 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.559 -179.763 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 77.0 mtp . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -63.09 -42.08 99.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.744 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -73.4 153.53 90.03 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.78 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -76.85 -39.78 0.6 Allowed 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 122.601 2.201 . . . . 0.0 112.146 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.97 -76.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.49 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -147.27 163.13 37.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.603 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 pt -59.17 -32.35 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.071 0.462 . . . . 0.0 110.593 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 39.2 mt -72.64 -32.11 65.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.848 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -72.08 -41.95 66.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.417 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 pt -71.3 -35.21 56.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.591 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 65.7 m -64.51 -52.56 57.21 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.44 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 91.1 p -62.51 -32.35 73.26 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.177 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -60.06 -50.23 74.54 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.887 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 10.7 mm -67.14 -44.58 87.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.901 0.381 . . . . 0.0 110.962 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.19 -27.03 69.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.565 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -75.08 -44.7 45.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.567 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.76 88.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.496 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 44.1 mt -74.54 -23.56 58.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.466 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -66.13 -50.15 65.0 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.24 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.77 -23.31 55.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.67 -60.42 2.27 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.286 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.96 95.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.359 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -63.19 -40.85 98.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.598 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 17.4 m -65.8 -42.89 90.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.044 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.4 -44.18 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.461 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.39 -41.83 99.74 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -61.1 -41.88 97.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.626 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.88 118.16 18.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.745 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -120.29 125.28 47.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.469 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -122.92 130.57 53.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.411 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 42.9 pt -133.75 152.88 35.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.629 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -102.26 128.71 48.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.505 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.589 -179.814 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 76.9 mtp . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.578 -0.526 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -63.15 -42.02 99.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.713 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -73.43 153.32 89.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.748 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.6 -39.89 0.65 Allowed 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.551 2.167 . . . . 0.0 112.122 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.97 -75.95 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.527 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -147.65 162.87 38.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.627 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 25.5 pt -58.91 -32.34 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.542 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 38.9 mt -72.51 -32.32 66.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.817 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -72.06 -42.27 66.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.259 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 28.4 pt -70.91 -35.5 60.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.569 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 65.4 m -64.37 -52.17 59.64 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.577 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 91.9 p -62.77 -32.45 73.61 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.178 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -60.0 -50.45 73.67 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.809 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 mm -67.05 -44.26 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.042 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.5 -26.79 68.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.476 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 47.5 t -75.36 -44.76 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.536 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.91 87.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.42 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 44.1 mt -74.5 -23.26 58.82 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.522 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -66.59 -49.81 65.11 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.267 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.93 -23.68 55.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.772 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.36 -60.24 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.317 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.92 93.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.132 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 67.8 t90 -63.16 -40.7 98.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.694 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 17.4 m -65.81 -43.01 89.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.037 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.27 -44.08 97.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.5 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.86 99.74 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -61.2 -41.84 97.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.814 0.34 . . . . 0.0 110.662 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.91 118.18 18.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.748 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -120.3 125.19 47.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.497 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -122.81 130.49 52.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.432 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 43.1 pt -133.6 152.98 35.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.65 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -102.39 128.73 48.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.468 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.53 -179.794 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 76.8 mtp . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -63.01 -42.14 99.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.643 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -73.73 152.31 89.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.883 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.83 -40.88 0.83 Allowed 'Trans proline' 0 N--CA 1.49 1.302 0 C-N-CA 122.717 2.278 . . . . 0.0 112.228 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.78 -75.95 0.17 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.58 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -147.46 162.93 38.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.625 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 25.3 pt -59.04 -32.37 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.101 0.477 . . . . 0.0 110.562 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 38.8 mt -72.53 -32.29 66.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.884 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 35.3 t -71.98 -42.1 66.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.32 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.407 HD13 HG21 ' D' ' 10' ' ' ILE . 28.4 pt -71.07 -35.28 58.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.693 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 65.8 m -64.43 -52.54 57.54 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.527 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 91.9 p -62.46 -32.42 73.29 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.151 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -60.08 -50.32 74.17 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.794 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 10.5 mm -67.07 -44.52 88.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.911 0.386 . . . . 0.0 110.974 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.19 -27.11 69.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.533 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 47.4 t -75.15 -44.69 45.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.587 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.85 87.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.478 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 43.7 mt -74.52 -23.36 58.81 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.55 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -66.39 -50.09 64.65 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.64 -23.63 56.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.48 -60.33 2.33 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.306 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.94 94.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.214 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 67.8 t90 -63.05 -41.04 99.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.584 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 17.5 m -65.41 -43.21 91.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.008 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.2 -44.22 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.416 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.34 -42.04 99.73 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -60.99 -42.01 97.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.847 0.356 . . . . 0.0 110.709 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.71 118.28 18.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.682 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -120.4 125.28 47.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.447 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -122.85 130.49 52.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.41 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 43.0 pt -133.59 153.03 36.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.691 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -102.48 128.68 49.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.421 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.555 -179.825 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtm . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -63.86 -39.03 93.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.592 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 -88.05 152.87 51.33 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -71.02 -45.33 0.94 Allowed 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.46 2.107 . . . . 0.0 112.406 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -140.72 -69.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.454 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.76 164.51 31.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.487 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -51.87 -35.8 18.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.728 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.11 -34.14 77.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -70.91 -40.46 72.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.703 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.73 -48.73 87.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.0 m -61.93 -50.93 70.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.523 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.1 t -54.4 -43.31 71.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.242 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -58.27 -48.6 79.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.011 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.1 mm -63.25 -44.24 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.008 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.29 -33.48 75.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.746 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.6 m -72.32 -49.22 36.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.047 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.64 95.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.021 0.439 . . . . 0.0 110.437 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.04 -40.64 78.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.073 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.23 -42.85 96.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.033 0.444 . . . . 0.0 111.429 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.99 -32.91 61.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.333 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.12 -53.96 11.18 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.57 -43.98 96.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.556 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.425 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 8.3 m95 -70.95 -29.87 66.0 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 119.664 -0.815 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -63.85 -54.83 28.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.886 0.374 . . . . 0.0 110.617 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.51 -41.51 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.501 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.24 -39.77 98.13 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -66.28 -39.64 89.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.763 0.316 . . . . 0.0 111.089 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp -63.04 143.44 57.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.701 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -86.03 119.28 26.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.438 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -120.27 118.13 29.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.258 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.6 mt -121.36 121.65 65.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.32 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.06 95.42 2.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.98 0.419 . . . . 0.0 110.318 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.574 -179.832 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -63.83 -39.02 93.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.57 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -88.09 152.88 51.24 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.835 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.07 -45.33 0.93 Allowed 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.476 2.117 . . . . 0.0 112.419 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -140.68 -69.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.458 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.73 164.56 31.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.565 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -52.03 -35.67 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.797 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.33 -33.81 76.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.637 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 58.7 m -71.17 -40.27 71.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.823 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.92 -48.72 87.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.697 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 92.6 m -61.98 -50.87 70.37 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.527 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 36.9 t -54.48 -42.96 71.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.364 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -58.5 -48.5 80.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 15.3 mm -63.38 -44.15 98.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.046 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.45 -32.96 74.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -72.8 -48.95 33.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.144 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.58 95.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.441 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.01 -40.54 78.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.182 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.46 -42.43 96.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.975 0.417 . . . . 0.0 111.46 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.45 -32.49 60.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.431 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.48 -53.79 11.09 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -43.98 96.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.593 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.425 ' CE3' ' HA ' ' B' ' 23' ' ' TRP . 8.0 m95 -71.29 -29.27 64.85 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.4 -54.46 32.38 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.741 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.73 -41.49 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.487 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.33 -39.4 97.7 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -66.59 -39.31 88.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.806 0.336 . . . . 0.0 111.17 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp -63.47 143.57 57.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.666 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -85.98 119.36 26.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.498 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -120.39 117.82 28.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.292 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 79.3 mt -121.04 121.68 65.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.35 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.97 95.45 1.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.602 -179.804 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -64.03 -38.99 93.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.449 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 49.0 mp0 -88.1 152.93 51.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.768 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -71.07 -45.4 0.91 Allowed 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.447 2.098 . . . . 0.0 112.446 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -140.67 -69.37 0.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.396 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.83 164.45 31.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.543 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -51.77 -35.77 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.753 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.13 -34.33 78.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.509 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -70.64 -40.73 72.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.663 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.63 -48.66 87.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.667 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 93.5 m -62.02 -50.79 70.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.515 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 37.3 t -54.47 -43.45 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.203 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -58.12 -48.7 79.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 15.1 mm -63.21 -44.06 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.016 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.42 -33.52 75.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.75 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -72.17 -49.39 36.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.013 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.72 95.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.349 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.01 -40.59 78.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -60.24 -42.91 96.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.014 0.435 . . . . 0.0 111.457 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -32.95 61.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.265 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.14 -53.86 11.45 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.15 96.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.476 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' TRP . . . . . 0.426 ' CE3' ' HA ' ' C' ' 23' ' ' TRP . 8.1 m95 -70.93 -30.01 66.2 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.029 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -63.69 -54.87 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.684 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 74.2 mt -61.55 -41.34 89.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.489 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.31 -39.88 98.3 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -66.04 -39.84 90.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 111.179 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.97 143.39 57.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.683 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -85.91 119.2 25.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.573 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -120.22 118.1 29.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.217 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 79.4 mt -121.37 121.71 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.382 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 95.41 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.297 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.621 -179.82 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtm . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -63.82 -39.12 93.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.478 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 49.0 mp0 -88.07 152.89 51.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.816 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.0 -45.37 0.93 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.406 2.071 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -140.6 -69.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.499 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.73 164.52 31.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.481 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -51.75 -36.15 18.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.715 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.93 -34.33 78.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.498 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -70.57 -40.49 73.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.807 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.75 -48.68 87.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.706 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.02 -50.99 69.85 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.444 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t -54.32 -43.34 71.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.208 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -58.19 -48.5 80.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 15.0 mm -63.26 -44.35 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.934 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.15 -33.75 76.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.733 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -71.98 -49.27 38.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.074 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.68 95.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.36 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -68.97 -40.79 78.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.051 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -60.02 -43.09 95.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.04 0.448 . . . . 0.0 111.388 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.88 -32.69 61.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.346 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.18 -53.87 11.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.14 96.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.436 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 23' ' ' TRP . . . . . 0.418 ' HA ' ' CE3' ' D' ' 23' ' ' TRP . 8.2 m95 -70.9 -29.93 66.14 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 119.654 -0.818 . . . . 0.0 111.115 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -63.7 -54.89 28.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.937 0.399 . . . . 0.0 110.68 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.37 -41.54 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.513 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.21 -40.1 98.54 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -65.79 -39.89 91.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 111.092 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.89 143.5 57.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.622 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -86.03 119.23 26.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.529 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -120.1 119.43 33.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.047 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 80.3 mt -122.43 121.54 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.22 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.97 95.36 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.922 0.391 . . . . 0.0 110.342 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.565 -179.775 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 mtp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -84.93 -27.03 26.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.464 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.2 153.06 79.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -71.89 -43.79 1.14 Allowed 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.69 2.26 . . . . 0.0 112.103 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -143.09 -85.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.371 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -152.28 160.75 43.29 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.865 0.364 . . . . 0.0 110.349 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 7' ' ' ILE . 19.0 pt -58.75 -34.86 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.407 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.2 -34.03 68.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.673 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.1 t -70.4 -43.63 69.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.726 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.3 mt -63.64 -46.8 93.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.712 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 t -58.97 -51.08 71.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.898 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.0 p -61.11 -39.12 88.77 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.579 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -56.91 -56.0 27.25 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.168 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.25 -40.12 87.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.327 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -64.19 -28.26 69.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.631 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.7 m -73.9 -45.17 52.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.625 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.68 -51.41 70.08 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.261 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.53 -25.53 64.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.819 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -63.22 -52.3 62.77 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.227 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.482 ' O ' HG23 ' A' ' 24' ' ' THR . 0.2 OUTLIER -73.15 -21.93 60.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.511 179.474 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -57.49 5.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.993 0.425 . . . . 0.0 111.063 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.9 -39.72 93.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.016 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -62.03 -41.51 98.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.557 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 20' ' ' PHE . 17.3 p -67.67 -37.73 82.77 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.701 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.66 -45.2 99.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.603 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.16 -42.1 99.52 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -60.42 -42.48 96.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 110.666 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.7 mt -86.48 135.59 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.656 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -84.35 115.49 22.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.736 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -92.93 142.74 26.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.396 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.5 pt -130.71 155.34 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.708 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 100.92 12.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.522 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.565 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.3 mtp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -85.22 -26.86 26.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.399 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.34 153.09 79.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.82 -44.0 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.681 2.254 . . . . 0.0 112.063 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -142.94 -85.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.408 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -152.1 161.02 43.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.961 0.41 . . . . 0.0 110.313 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.3 pt -59.0 -34.92 54.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.27 -33.8 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.707 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 42.8 t -70.58 -43.45 69.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.779 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.61 -46.81 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.799 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.13 -51.02 71.82 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.932 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 80.9 p -61.14 -38.81 87.72 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.655 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -57.18 -55.84 29.59 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.258 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.31 -40.17 88.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.863 0.363 . . . . 0.0 110.451 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -64.19 -28.23 69.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.608 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.5 m -74.0 -44.97 52.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.647 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.77 -51.29 70.61 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.299 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.75 -25.49 63.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.888 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -63.17 -52.29 62.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.184 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.495 ' O ' HG23 ' B' ' 24' ' ' THR . 0.2 OUTLIER -73.19 -21.76 60.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.485 179.447 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -57.67 4.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.058 0.456 . . . . 0.0 111.034 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.54 93.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -62.11 -41.32 98.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.625 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.495 HG23 ' O ' ' B' ' 20' ' ' PHE . 17.5 p -67.84 -37.7 82.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.764 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 81.9 mt -62.55 -45.32 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.624 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.09 99.62 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -60.28 -42.35 95.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.756 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 87.8 mt -86.61 135.84 33.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.686 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -84.75 114.8 22.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.733 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -92.21 143.03 26.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.385 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 44.5 pt -130.9 155.57 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.716 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.25 100.93 13.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.528 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.538 -179.894 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 37.4 mtp . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -85.09 -27.04 26.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.457 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.22 153.1 79.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.78 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -71.78 -44.06 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.703 2.268 . . . . 0.0 112.129 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -142.88 -85.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.337 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -152.05 161.05 43.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.944 0.402 . . . . 0.0 110.301 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.404 HG21 HD13 ' C' ' 7' ' ' ILE . 19.3 pt -59.03 -34.97 54.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.322 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 90.2 mt -72.11 -33.98 68.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.625 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 42.3 t -70.48 -43.57 69.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.682 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.53 -46.83 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.784 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 24.0 t -59.01 -51.2 71.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.93 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -60.85 -39.25 88.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.636 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -56.78 -56.09 26.02 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.225 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.19 -40.21 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.367 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.99 -28.52 69.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.58 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 67.8 m -73.8 -45.18 53.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.563 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.43 -51.46 69.73 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.269 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.47 -26.0 64.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -62.98 -52.31 63.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.033 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.493 ' O ' HG23 ' C' ' 24' ' ' THR . 0.2 OUTLIER -73.04 -21.94 60.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 179.549 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -57.65 5.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.001 0.429 . . . . 0.0 111.021 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.57 93.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.122 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -61.99 -41.65 98.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.584 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' THR . . . . . 0.493 HG23 ' O ' ' C' ' 20' ' ' PHE . 17.7 p -67.44 -37.84 83.62 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.77 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -62.47 -45.32 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.574 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.04 -42.36 99.64 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -60.18 -42.59 95.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.769 0.319 . . . . 0.0 110.649 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 87.9 mt -86.33 135.57 33.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.688 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -84.56 115.43 22.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.65 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -92.74 142.83 26.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.348 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 44.4 pt -130.78 155.35 41.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.747 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 100.88 12.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.427 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.583 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 37.3 mtp . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -84.94 -27.06 26.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.25 153.19 79.43 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.733 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -71.92 -43.86 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.703 2.268 . . . . 0.0 112.114 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -143.06 -85.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.366 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -152.03 161.03 43.27 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.371 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 pt -59.0 -34.98 54.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.33 -33.72 67.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.629 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 41.2 t -70.6 -43.43 69.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.814 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.78 -46.74 93.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.805 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 24.1 t -59.03 -51.12 71.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.955 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -61.12 -38.84 87.78 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.667 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -57.2 -55.73 30.95 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.303 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.42 -40.25 88.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.412 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.01 -28.16 69.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.662 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -74.11 -44.91 52.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.654 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.72 -51.62 69.2 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.218 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.25 -25.78 64.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.934 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -63.05 -52.29 63.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.182 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.49 ' O ' HG23 ' D' ' 24' ' ' THR . 0.2 OUTLIER -73.19 -21.7 60.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.462 179.507 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.41 -57.64 5.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.07 0.462 . . . . 0.0 111.064 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.91 -39.56 93.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.046 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -62.1 -41.33 98.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.652 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 24' ' ' THR . . . . . 0.49 HG23 ' O ' ' D' ' 20' ' ' PHE . 17.5 p -67.88 -37.62 82.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.71 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.59 -45.35 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.624 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.03 -42.18 99.69 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -60.46 -42.16 95.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.765 0.317 . . . . 0.0 110.796 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt -86.78 135.42 33.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 110.688 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -84.13 118.0 23.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.269 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -95.52 142.53 27.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.046 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 44.4 pt -130.6 154.27 40.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.852 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.32 100.93 12.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.469 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.631 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tpt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -159.99 27.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.537 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -75.04 148.46 84.4 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.536 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.545 ' CG ' HD11 ' A' ' 10' ' ' ILE . 60.6 Cg_endo -74.37 -38.44 1.98 Allowed 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.335 2.024 . . . . 0.0 112.491 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.73 -84.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.251 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -148.71 161.43 41.78 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.854 0.359 . . . . 0.0 110.366 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.4 mm -64.07 -42.62 96.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.476 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.23 -35.29 76.0 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.744 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.7 p -69.52 -42.27 74.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.356 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.545 HD11 ' CG ' ' A' ' 4' ' ' PRO . 4.1 mm -65.19 -41.68 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.632 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.405 ' O ' HG22 ' A' ' 14' ' ' ILE . 95.9 m -59.39 -50.13 75.15 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.766 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 15' ' ' LEU . 47.8 t -59.8 -40.3 87.88 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.76 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -60.45 -51.61 68.75 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.082 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 11' ' ' CYS . 18.6 tt -66.01 -31.56 54.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.251 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 12' ' ' SER . 19.5 mt -62.11 -63.47 1.24 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.4 p -52.3 -36.87 54.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.887 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.34 -47.35 86.31 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.174 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.09 -36.21 83.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.652 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -37.55 85.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.436 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.86 -36.17 62.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.907 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.1 mtt -72.05 -52.66 15.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.911 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.66 -42.43 98.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.118 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -74.01 -27.54 61.01 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.566 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.83 -55.79 17.4 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.647 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.05 -43.21 92.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.36 -36.51 92.6 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -72.83 -36.2 67.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.913 0.387 . . . . 0.0 111.149 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.49 132.89 53.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -129.13 137.45 51.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.046 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -138.93 142.11 38.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.216 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.9 pt -141.17 150.56 20.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.417 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -78.3 145.55 35.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.441 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.598 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tpt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -160.02 27.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.575 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -74.98 148.5 84.59 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.485 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.544 ' CG ' HD11 ' B' ' 10' ' ' ILE . 61.1 Cg_endo -74.31 -38.47 2.0 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.375 2.05 . . . . 0.0 112.599 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.71 -84.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.341 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -148.68 161.52 41.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.781 0.324 . . . . 0.0 110.385 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 21.1 mm -64.17 -42.76 96.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.365 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.1 -35.44 76.47 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.736 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 88.4 p -69.34 -42.44 75.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.245 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.544 HD11 ' CG ' ' B' ' 4' ' ' PRO . 4.2 mm -65.04 -41.64 92.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.679 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' CYS . . . . . 0.409 ' O ' HG22 ' B' ' 14' ' ' ILE . 96.7 m -59.48 -50.14 75.07 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.379 -0.529 . . . . 0.0 109.762 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' SER . . . . . 0.423 ' HA ' HD12 ' B' ' 15' ' ' LEU . 47.7 t -59.75 -40.3 87.67 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.727 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -60.37 -51.74 68.2 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.09 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.409 HG22 ' O ' ' B' ' 11' ' ' CYS . 18.6 tt -65.83 -31.6 54.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.335 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' B' ' 12' ' ' SER . 19.6 mt -61.99 -63.95 1.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 88.8 p -51.73 -37.11 49.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.902 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.41 86.24 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.17 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.01 -36.25 83.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -37.74 85.59 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.405 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.56 -36.39 63.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.801 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 59.1 mtt -71.93 -52.52 16.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.909 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.78 99.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.038 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -73.76 -27.8 61.35 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.634 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.58 -56.11 16.08 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.871 0.367 . . . . 0.0 110.468 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.84 -43.23 93.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.25 -36.78 92.94 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -72.45 -36.63 68.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.945 0.402 . . . . 0.0 111.109 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.13 132.89 54.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.875 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -129.09 137.5 51.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.087 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -138.99 142.09 38.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.23 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 48.1 pt -141.14 150.42 20.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.536 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -78.18 145.55 35.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.526 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.602 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tpt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -159.97 27.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.512 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -75.04 148.41 84.36 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.577 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' PRO . . . . . 0.546 ' CG ' HD11 ' C' ' 10' ' ' ILE . 61.1 Cg_endo -74.13 -38.6 2.05 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.386 2.058 . . . . 0.0 112.627 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -148.66 -84.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.328 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -148.63 161.56 41.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.777 0.322 . . . . 0.0 110.405 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 mm -64.17 -42.76 96.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.345 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.16 -35.4 76.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.733 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 88.6 p -69.3 -42.4 75.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.328 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.546 HD11 ' CG ' ' C' ' 4' ' ' PRO . 4.1 mm -65.17 -41.56 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 11' ' ' CYS . . . . . 0.401 ' O ' HG22 ' C' ' 14' ' ' ILE . 96.5 m -59.46 -50.12 75.15 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.388 -0.525 . . . . 0.0 109.809 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.429 ' HA ' HD12 ' C' ' 15' ' ' LEU . 47.7 t -59.8 -40.27 87.75 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.714 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -60.4 -51.76 68.11 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.06 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ILE . . . . . 0.401 HG22 ' O ' ' C' ' 11' ' ' CYS . 18.7 tt -65.81 -31.54 54.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.328 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 15' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' C' ' 12' ' ' SER . 19.5 mt -62.1 -63.66 1.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 88.5 p -52.14 -36.89 52.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.37 86.44 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.23 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.04 -36.44 84.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.658 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.44 -37.69 85.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.419 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.57 -36.39 63.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.984 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 59.2 mtt -71.95 -52.42 17.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.944 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.63 99.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.088 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 24.0 m95 -73.8 -27.69 61.26 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.536 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.66 -56.06 16.19 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.568 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.75 -43.35 93.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.16 -36.79 92.91 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -72.43 -36.62 68.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.928 0.394 . . . . 0.0 111.099 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.2 132.86 54.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.822 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -129.12 137.45 51.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.067 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -138.86 142.17 38.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.256 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 47.9 pt -141.19 150.54 20.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.459 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -78.27 145.52 35.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.43 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.641 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tpt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -160.0 27.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.598 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -75.18 148.07 83.66 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.592 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 4' ' ' PRO . . . . . 0.555 ' HG3' HD11 ' D' ' 10' ' ' ILE . 60.9 Cg_endo -73.58 -38.9 2.21 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.467 2.111 . . . . 0.0 112.545 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.59 -84.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.337 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -148.52 161.51 41.51 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.841 0.353 . . . . 0.0 110.378 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 mm -64.2 -42.62 96.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.387 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.23 -35.32 76.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.751 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 88.5 p -69.42 -42.41 75.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.29 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.555 HD11 ' HG3' ' D' ' 4' ' ' PRO . 4.2 mm -65.08 -41.66 92.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 11' ' ' CYS . . . . . 0.406 ' O ' HG22 ' D' ' 14' ' ' ILE . 95.8 m -59.44 -50.14 75.07 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.421 -0.512 . . . . 0.0 109.761 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 12' ' ' SER . . . . . 0.433 ' HA ' HD12 ' D' ' 15' ' ' LEU . 47.8 t -59.86 -40.21 87.85 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.775 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.38 -51.65 68.58 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.093 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' ILE . . . . . 0.406 HG22 ' O ' ' D' ' 11' ' ' CYS . 18.7 tt -66.12 -31.16 52.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.287 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' D' ' 12' ' ' SER . 18.8 mt -63.4 -60.88 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.458 -0.497 . . . . 0.0 109.877 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 88.0 p -54.01 -36.65 63.21 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.745 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.38 86.27 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.139 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.06 -36.3 83.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.719 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -37.55 85.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.388 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -36.18 62.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.879 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 59.3 mtt -72.13 -52.61 15.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.869 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.66 99.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.088 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -73.85 -27.58 61.16 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.516 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.84 -55.9 16.75 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.606 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.04 -43.2 92.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.37 -36.45 92.52 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -72.81 -36.29 67.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.867 0.365 . . . . 0.0 111.076 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.4 132.92 54.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.78 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -129.07 137.46 51.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.114 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -138.97 142.03 38.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.242 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 48.0 pt -141.1 150.59 20.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.477 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -78.32 145.6 35.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.449 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.647 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttm . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -93.06 -35.71 13.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.689 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -77.11 159.07 79.01 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.66 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.561 ' HD2' HD11 ' A' ' 10' ' ' ILE . 44.7 Cg_exo -54.76 -39.71 88.22 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.774 2.316 . . . . 0.0 112.11 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.47 -71.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.474 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -151.32 160.0 44.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.516 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.91 -33.51 49.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.547 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.67 -68.26 0.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.46 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.1 p -47.69 -32.37 5.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.172 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.561 HD11 ' HD2' ' A' ' 4' ' ' PRO . 71.0 mt -70.12 -46.88 70.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 121.11 0.481 . . . . 0.0 111.015 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.1 m -60.78 -48.15 83.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.18 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.8 m -64.52 -30.42 71.45 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.462 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.21 -49.71 76.06 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 120.954 0.407 . . . . 0.0 110.563 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 87.3 mt -66.53 -41.52 88.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.853 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.05 -64.23 1.02 Allowed 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.189 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.6 t -44.19 -38.81 3.96 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . -57.87 -58.07 9.98 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.311 0.577 . . . . 0.0 110.624 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.22 -19.17 65.85 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.909 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.66 -47.96 61.48 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.36 -22.92 57.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.267 0.354 . . . . 0.0 110.777 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 34.4 mmt -71.21 -60.73 2.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.074 0.464 . . . . 0.0 111.29 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.3 90.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.918 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -62.21 -40.85 97.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.452 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.7 m -64.66 -41.87 95.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.794 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.7 -45.25 97.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.535 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.51 -43.34 99.16 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -56.84 -44.54 82.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.638 0.256 . . . . 0.0 110.376 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.84 132.34 44.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.722 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -80.31 140.4 36.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.8 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -94.6 119.15 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.456 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.1 mt -116.35 127.55 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.44 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -99.04 110.97 23.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.626 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.504 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.5 ttm . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -92.94 -35.49 13.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.706 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -77.21 158.96 78.95 Favored Pre-proline 0 N--CA 1.452 -0.373 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.575 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.558 ' HD2' HD11 ' B' ' 10' ' ' ILE . 45.7 Cg_exo -54.71 -39.53 88.84 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.705 2.27 . . . . 0.0 112.151 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.72 -71.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.529 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -151.2 159.76 44.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.61 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 91.0 mt -58.72 -33.65 49.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.469 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.37 -68.92 0.3 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.345 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 90.4 p -47.24 -32.36 4.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.202 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.558 HD11 ' HD2' ' B' ' 4' ' ' PRO . 71.8 mt -70.21 -46.87 70.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.96 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 94.5 m -60.81 -48.24 82.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.107 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.0 m -64.32 -30.52 71.56 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.407 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -61.04 -49.79 75.95 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.033 0.444 . . . . 0.0 110.624 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ILE . . . . . 0.422 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 87.6 mt -66.49 -41.73 89.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.828 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.84 -64.43 0.96 Allowed 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.209 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 39.3 t -44.05 -38.76 3.74 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 14' ' ' ILE . . . -58.0 -57.86 10.95 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.21 0.529 . . . . 0.0 110.56 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.53 -19.11 65.79 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.793 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.7 -47.9 61.51 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.21 -22.99 57.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.745 0.307 . . . . 0.0 110.925 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 34.4 mmt -71.46 -60.75 2.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.025 0.44 . . . . 0.0 111.249 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.34 91.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.971 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -62.21 -41.06 98.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.527 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 17.8 m -64.62 -41.87 95.89 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.708 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.53 -45.35 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.528 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.34 -43.66 98.76 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -56.66 -44.54 81.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.633 0.254 . . . . 0.0 110.32 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.77 132.59 44.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.79 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -80.68 140.12 35.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -94.28 119.08 32.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.573 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 76.3 mt -116.29 127.54 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.47 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -99.06 111.21 23.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.598 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.631 -179.897 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 37.7 ttm . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -92.9 -35.72 13.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.702 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -76.92 159.09 79.42 Favored Pre-proline 0 N--CA 1.452 -0.373 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.668 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' PRO . . . . . 0.54 ' HD2' HD11 ' C' ' 10' ' ' ILE . 44.2 Cg_exo -54.98 -39.33 91.34 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.766 2.311 . . . . 0.0 112.12 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.9 -71.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.534 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -150.98 159.92 44.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 92.2 mt -58.93 -33.31 49.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.064 0.459 . . . . 0.0 110.644 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.74 -68.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.429 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 89.6 p -47.52 -32.35 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.142 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.54 HD11 ' HD2' ' C' ' 4' ' ' PRO . 71.5 mt -70.27 -46.8 70.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.016 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 88.4 m -60.92 -48.25 82.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.132 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 64.1 m -64.25 -30.6 71.65 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.408 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -60.95 -49.82 75.92 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.016 0.436 . . . . 0.0 110.596 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ILE . . . . . 0.426 ' O ' ' HB3' ' C' ' 17' ' ' ALA . 88.2 mt -66.45 -41.82 89.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.824 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.82 -64.22 1.03 Allowed 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.189 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 39.4 t -44.23 -38.8 4.02 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' C' ' 14' ' ' ILE . . . -57.87 -57.78 11.28 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.233 0.54 . . . . 0.0 110.596 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.64 -19.15 65.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.838 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.63 -47.92 61.77 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.27 -23.09 57.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 34.3 mmt -71.15 -60.61 2.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.047 0.451 . . . . 0.0 111.44 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.13 90.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.941 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -62.15 -41.12 97.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.469 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 17.7 m -64.53 -41.93 96.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.67 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.47 -45.49 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.579 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.34 -43.85 98.49 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -56.21 -44.78 79.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.736 0.303 . . . . 0.0 110.363 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.73 132.49 44.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.794 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -80.43 140.44 35.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.73 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -94.61 118.8 32.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.501 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 76.8 mt -116.15 127.34 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.46 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -98.81 111.32 23.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.607 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 37.7 ttm . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -93.09 -35.89 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.691 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -76.87 159.13 79.46 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.631 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' PRO . . . . . 0.551 ' HD2' HD11 ' D' ' 10' ' ' ILE . 44.2 Cg_exo -54.88 -39.89 88.03 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.74 2.293 . . . . 0.0 112.093 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.29 -71.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.495 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -151.37 160.02 43.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.511 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 90.7 mt -59.02 -32.74 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.435 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.24 -63.98 0.96 Allowed 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.555 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 90.3 p -50.14 -32.18 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.551 HD11 ' HD2' ' D' ' 4' ' ' PRO . 71.4 mt -70.29 -47.11 68.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.002 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 88.3 m -60.74 -47.74 84.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.23 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 61.4 m -64.79 -30.58 71.6 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.461 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -61.02 -49.72 76.29 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 120.956 0.408 . . . . 0.0 110.619 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' ILE . . . . . 0.409 ' O ' ' HB3' ' D' ' 17' ' ' ALA . 88.2 mt -66.53 -41.37 88.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.746 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.38 -61.27 2.56 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.256 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 40.5 t -46.22 -38.47 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 17' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' D' ' 14' ' ' ILE . . . -57.94 -57.55 12.32 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.339 0.59 . . . . 0.0 110.657 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.86 -19.13 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.929 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -69.83 -47.45 62.69 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -22.96 55.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.697 0.284 . . . . 0.0 110.82 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 34.3 mmt -71.19 -60.2 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.018 0.437 . . . . 0.0 111.332 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.57 -40.23 88.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.993 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -62.18 -40.45 96.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.486 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 17.8 m -65.13 -41.68 94.62 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.753 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.91 -45.13 98.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.48 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.56 -43.35 99.13 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -56.97 -44.36 82.54 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.05 132.52 44.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.791 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -80.57 141.12 35.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.666 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -95.64 119.58 34.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.233 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 76.4 mt -116.59 127.22 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.505 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -98.83 109.85 22.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.737 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.627 179.68 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 ptm . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -19.25 22.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.371 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -57.03 146.96 57.78 Favored Pre-proline 0 CA--C 1.532 0.28 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.681 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -75.96 -53.34 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.562 2.175 . . . . 0.0 112.116 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -131.57 -82.55 0.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.413 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -154.05 161.88 41.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.442 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.4 pt -56.31 -32.45 35.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.4 tp -71.45 -34.43 70.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.531 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.7 m -70.97 -42.17 70.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.875 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.77 -45.2 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.802 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.9 m -59.56 -50.72 72.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.195 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -60.38 -38.36 83.66 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.56 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -57.36 12.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.183 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 14' ' ' ILE . 23.3 pt -63.89 -40.18 88.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.08 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.72 -28.4 69.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.108 0.48 . . . . 0.0 110.303 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.6 m -74.07 -44.71 53.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.665 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.1 90.34 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.985 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 tp -73.0 -27.21 61.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.764 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -63.78 -51.5 64.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.47 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -24.19 56.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.561 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.1 mtt -70.29 -59.75 2.69 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.193 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.07 -38.76 92.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.918 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -66.29 -41.52 89.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -63.94 -51.15 65.75 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.526 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 26' ' ' GLY . 34.3 pt -58.57 -40.94 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.383 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.445 ' N ' HG13 ' A' ' 25' ' ' ILE . . . -64.3 -42.95 97.59 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -59.04 -43.58 91.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.73 0.3 . . . . 0.0 110.641 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.66 140.81 56.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.547 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -100.54 116.7 33.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.598 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -117.97 125.86 51.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.565 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.2 mt -132.33 132.62 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.756 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -79.95 102.18 9.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.459 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.562 -179.896 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.7 ptm . . . . . 0 N--CA 1.494 1.774 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.26 -19.21 20.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.408 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -57.05 147.21 56.73 Favored Pre-proline 0 CA--C 1.533 0.293 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.659 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.24 -53.15 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 122.53 2.153 . . . . 0.0 112.182 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.78 -82.48 0.51 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.408 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -154.24 161.71 41.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.421 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 pt -56.13 -32.47 34.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.339 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 29.0 tp -71.39 -34.62 70.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.532 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 71.9 m -70.84 -42.32 70.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.81 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.46 -45.38 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.767 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 96.0 m -59.6 -50.61 73.19 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.221 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.1 m -60.43 -38.44 84.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.508 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.34 -57.63 11.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.091 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 23.2 pt -63.62 -40.12 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.956 0.408 . . . . 0.0 111.142 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 63.8 mt -64.8 -28.36 69.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.125 0.488 . . . . 0.0 110.284 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 68.9 m -74.05 -44.82 52.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.654 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.2 89.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.939 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 28.2 tp -72.9 -27.22 61.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -63.77 -51.5 64.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.54 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.46 -24.39 56.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.539 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 30.2 mtt -70.22 -59.65 2.75 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.594 -0.443 . . . . 0.0 111.244 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.7 91.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.867 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -66.28 -41.5 89.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.052 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -63.96 -51.25 65.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.448 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ILE . . . . . 0.45 HG13 ' N ' ' B' ' 26' ' ' GLY . 34.3 pt -58.47 -40.97 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.439 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLY . . . . . 0.45 ' N ' HG13 ' B' ' 25' ' ' ILE . . . -64.28 -43.1 97.45 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -59.04 -43.68 91.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.731 0.3 . . . . 0.0 110.598 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.53 140.95 55.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.429 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -100.81 116.68 33.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.611 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -117.85 125.8 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.649 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -132.33 132.47 60.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.748 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -79.84 102.2 8.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.505 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.576 -179.904 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 7.7 ptm . . . . . 0 N--CA 1.494 1.756 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -19.1 21.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.372 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -57.05 146.97 57.93 Favored Pre-proline 0 CA--C 1.533 0.293 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.742 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -76.03 -53.23 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 122.518 2.145 . . . . 0.0 112.119 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -131.7 -82.53 0.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.457 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -154.01 161.9 41.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.468 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 pt -56.27 -32.48 35.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 29.2 tp -71.47 -34.43 70.19 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.469 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 71.9 m -70.99 -42.15 70.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.915 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.65 -45.27 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 96.4 m -59.54 -50.7 72.88 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.241 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.6 m -60.49 -38.18 83.47 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.51 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.5 -57.36 12.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.171 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 22.8 pt -63.89 -40.3 88.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.064 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 63.4 mt -64.61 -28.37 69.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.208 0.527 . . . . 0.0 110.323 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -73.95 -44.79 53.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.696 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.92 91.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.03 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 tp -73.06 -27.18 61.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.741 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -63.78 -51.65 63.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.508 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -24.25 57.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.545 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 30.1 mtt -70.33 -59.68 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.218 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.06 -38.88 92.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -66.12 -41.58 90.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.053 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 16.5 m -63.95 -51.2 65.5 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.446 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ILE . . . . . 0.437 HG13 ' N ' ' C' ' 26' ' ' GLY . 34.6 pt -58.51 -41.11 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.375 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 26' ' ' GLY . . . . . 0.437 ' N ' HG13 ' C' ' 25' ' ' ILE . . . -64.19 -43.09 97.59 Favored Glycine 0 C--N 1.332 0.355 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -58.97 -43.6 91.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.776 0.322 . . . . 0.0 110.668 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 83.3 mt -59.59 140.89 55.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.508 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -100.76 116.73 33.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.62 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -117.82 125.96 51.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.596 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 87.3 mt -132.48 132.49 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.718 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -79.88 102.31 9.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.442 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.618 -179.937 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.7 ptm . . . . . 0 N--CA 1.495 1.794 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -19.22 21.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.333 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -57.34 146.01 64.79 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.795 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -74.41 -54.13 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.397 0 C-N-CA 122.612 2.208 . . . . 0.0 112.165 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.41 -82.47 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.425 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -154.14 161.89 41.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.54 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 30.6 pt -56.3 -32.49 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.312 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 29.1 tp -71.35 -34.62 70.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.443 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 72.5 m -70.86 -42.22 70.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.827 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.7 -45.23 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.737 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 95.6 m -59.52 -50.83 72.39 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.195 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 71.3 m -60.23 -38.45 83.47 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.499 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -57.5 11.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.067 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 22.9 pt -63.77 -40.19 88.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 120.916 0.389 . . . . 0.0 111.063 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 63.3 mt -64.77 -28.38 69.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.131 0.491 . . . . 0.0 110.242 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 68.6 m -73.75 -45.03 54.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.696 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.18 89.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.052 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 tp -72.87 -27.27 61.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.785 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -63.7 -51.7 63.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.473 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -24.35 57.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.551 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 30.1 mtt -70.15 -59.59 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.516 -0.473 . . . . 0.0 111.202 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.94 92.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.86 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -66.2 -41.58 89.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -63.8 -51.36 65.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.457 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 25' ' ' ILE . . . . . 0.454 HG13 ' N ' ' D' ' 26' ' ' GLY . 34.5 pt -58.32 -41.11 80.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.451 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 26' ' ' GLY . . . . . 0.454 ' N ' HG13 ' D' ' 25' ' ' ILE . . . -64.17 -43.15 97.53 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -58.83 -43.85 90.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.746 0.308 . . . . 0.0 110.662 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.47 140.69 55.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.514 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -100.54 117.8 35.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.413 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -118.69 125.9 50.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -132.48 132.56 60.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.801 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -79.93 102.22 9.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.892 0.377 . . . . 0.0 110.536 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.547 -179.882 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -98.41 -50.34 4.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.401 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 -92.88 159.26 36.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.432 ' HD2' HD11 ' A' ' 10' ' ' ILE . 35.4 Cg_exo -57.07 -39.78 88.51 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.623 2.215 . . . . 0.0 112.049 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -143.1 -81.73 0.19 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.632 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -149.16 168.06 24.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.03 -41.35 85.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.633 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.38 -35.24 80.24 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.638 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -70.78 -41.33 71.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.795 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.432 HD11 ' HD2' ' A' ' 4' ' ' PRO . 6.2 mm -64.64 -44.01 96.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.997 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m -60.5 -50.98 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.379 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -58.66 -38.17 77.58 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.366 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -50.93 71.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.079 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.2 -41.14 91.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.599 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.39 -63.18 1.37 Allowed 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.942 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.0 m -45.48 -40.53 8.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.226 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.73 -61.39 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.413 . . . . 0.0 110.6 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.71 -19.48 63.95 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.086 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 23' ' ' TRP . 3.5 t-80 -69.44 -49.42 55.18 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.026 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.487 ' O ' HG23 ' A' ' 24' ' ' THR . 0.2 OUTLIER -73.76 -23.53 59.74 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.974 179.384 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 80.3 mmm -69.48 -55.41 10.33 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.588 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.24 -38.68 82.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.16 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.408 ' HB2' ' O ' ' A' ' 19' ' ' HIS . 3.9 t90 -62.88 -40.25 96.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.583 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 20' ' ' PHE . 17.8 p -68.2 -39.17 82.52 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.813 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.8 mt -62.61 -46.39 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.641 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.42 99.9 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.28 -44.12 83.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.746 0.308 . . . . 0.0 110.393 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt -77.93 119.09 20.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.481 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -116.28 142.18 47.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.807 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -108.88 119.68 40.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.302 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.5 mt -112.19 127.46 69.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.71 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -123.28 115.26 21.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.506 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.8 mtp-105 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.497 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -98.4 -50.06 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.444 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -93.32 159.33 35.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.42 ' HD2' HD11 ' B' ' 10' ' ' ILE . 35.3 Cg_exo -57.14 -39.68 88.83 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 122.597 2.198 . . . . 0.0 112.07 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -143.12 -81.93 0.19 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.642 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -149.06 168.0 24.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.509 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.01 -41.23 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.645 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.46 -35.25 80.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.633 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 75.2 m -70.76 -41.33 71.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.848 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.42 HD11 ' HD2' ' B' ' 4' ' ' PRO . 6.2 mm -64.55 -44.08 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.021 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 82.9 m -60.54 -51.02 71.23 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.295 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 58.5 m -58.66 -38.13 77.48 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.415 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.2 -50.82 72.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.227 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.29 -41.19 91.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.532 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.22 -63.5 1.27 Allowed 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -45.22 -40.51 7.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.262 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.65 -61.72 2.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.975 0.416 . . . . 0.0 110.572 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.45 -19.45 63.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.124 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.417 ' O ' ' HB2' ' B' ' 23' ' ' TRP . 3.4 t-80 -69.48 -49.31 55.94 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.108 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.487 ' O ' HG23 ' B' ' 24' ' ' THR . 0.2 OUTLIER -73.87 -23.35 59.59 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.965 179.393 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 80.3 mmm -69.59 -55.48 9.98 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.556 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.88 83.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.257 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.417 ' HB2' ' O ' ' B' ' 19' ' ' HIS . 4.0 t90 -62.92 -40.14 96.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.54 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.487 HG23 ' O ' ' B' ' 20' ' ' PHE . 17.8 p -68.25 -39.14 82.33 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.84 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 79.8 mt -62.69 -46.43 96.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.591 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.95 -41.34 99.91 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.35 -44.05 83.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.786 0.327 . . . . 0.0 110.42 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt -78.0 119.13 21.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.471 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -116.33 142.22 47.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.695 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -108.98 119.46 39.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.272 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 77.6 mt -112.11 127.36 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.771 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -123.23 115.22 21.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.496 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 24.8 mtp-105 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.477 -179.911 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ttp . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -98.44 -50.34 4.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.434 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 -92.98 159.34 35.91 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.81 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' PRO . . . . . 0.421 ' HD2' HD11 ' C' ' 10' ' ' ILE . 35.7 Cg_exo -57.18 -39.81 87.66 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 122.654 2.236 . . . . 0.0 112.074 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -142.98 -81.66 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.637 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -149.39 167.94 24.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.538 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.02 -41.17 85.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.693 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.44 -35.34 80.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.628 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -70.69 -41.37 72.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.763 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.421 HD11 ' HD2' ' C' ' 4' ' ' PRO . 6.1 mm -64.56 -44.04 96.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.983 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 82.4 m -60.54 -50.9 71.71 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.303 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -58.74 -38.25 77.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.384 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -51.03 71.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.104 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 87.5 mt -64.2 -41.06 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.563 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.44 -63.02 1.42 Allowed 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 69.6 m -45.45 -40.82 8.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.203 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.56 -61.43 2.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.97 0.415 . . . . 0.0 110.657 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.73 -19.23 63.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.086 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -69.74 -49.27 54.72 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.057 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.495 ' O ' HG23 ' C' ' 24' ' ' THR . 0.2 OUTLIER -73.7 -23.73 59.84 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.916 179.376 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 80.4 mmm -69.35 -55.45 10.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.037 0.446 . . . . 0.0 111.558 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.17 -38.64 82.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.208 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -62.95 -40.28 97.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.518 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' THR . . . . . 0.495 HG23 ' O ' ' C' ' 20' ' ' PHE . 17.7 p -68.14 -39.25 82.72 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.821 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.61 -46.26 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.636 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.09 -41.44 99.78 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.671 -0.971 . . . . 0.0 110.671 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -57.34 -44.2 84.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.678 0.275 . . . . 0.0 110.388 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt -77.82 119.1 20.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.442 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -116.33 142.2 47.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.748 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -108.89 119.63 40.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.28 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 77.9 mt -112.19 127.58 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.729 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -123.43 115.29 21.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.44 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 24.7 mtp-105 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.419 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -98.32 -51.19 4.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.318 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -91.74 159.24 38.8 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' PRO . . . . . 0.408 ' HD2' HD11 ' D' ' 10' ' ' ILE . 34.6 Cg_exo -57.16 -39.84 87.51 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.651 2.234 . . . . 0.0 112.034 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -143.02 -81.59 0.19 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.664 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -149.37 167.93 24.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.481 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 81.7 mt -59.94 -41.38 85.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.649 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.32 -35.36 80.61 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.58 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 75.8 m -70.68 -41.29 72.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.845 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.408 HD11 ' HD2' ' D' ' 4' ' ' PRO . 6.2 mm -64.5 -44.07 96.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.986 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 83.9 m -60.55 -51.03 71.14 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.25 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 59.0 m -58.56 -38.36 77.68 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.38 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -50.94 71.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.2 -41.08 91.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.496 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.45 -60.41 3.59 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.126 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -47.2 -40.6 16.46 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.85 -60.6 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.659 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.38 -19.32 64.56 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.12 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 19' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' D' ' 23' ' ' TRP . 3.5 t-80 -69.53 -49.64 52.53 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.868 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.488 ' O ' HG23 ' D' ' 24' ' ' THR . 0.2 OUTLIER -73.49 -23.79 60.09 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.928 179.514 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 80.1 mmm -69.42 -55.41 10.41 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.535 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.17 -38.71 82.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.193 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' TRP . . . . . 0.408 ' HB2' ' O ' ' D' ' 19' ' ' HIS . 4.0 t90 -62.83 -40.43 97.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.436 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 24' ' ' THR . . . . . 0.488 HG23 ' O ' ' D' ' 20' ' ' PHE . 17.6 p -68.03 -39.2 83.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.781 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.65 -46.32 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.595 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.65 99.85 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.09 -44.39 83.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.729 0.3 . . . . 0.0 110.356 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt -77.6 119.05 20.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.473 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -116.38 142.18 47.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.754 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -108.89 120.12 41.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.249 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 78.0 mt -112.62 127.56 69.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.728 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -123.32 115.29 21.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.468 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 24.7 mtp-105 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.433 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.71 0.29 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.614 ' HD2' HD11 ' A' ' 10' ' ' ILE . 52.1 Cg_exo -51.78 -37.16 64.85 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.573 2.182 . . . . 0.0 111.979 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.69 -71.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.298 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -160.87 160.52 31.12 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.61 -41.95 92.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.925 0.393 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.4 mt -68.55 -34.52 75.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -71.41 -43.5 66.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.238 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.614 HD11 ' HD2' ' A' ' 4' ' ' PRO . 84.8 mt -65.65 -45.25 92.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.0 m -60.79 -51.05 70.99 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.586 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -59.83 -38.06 80.97 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.571 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -59.75 -50.12 75.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.0 mt -67.46 -41.55 86.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.764 0.316 . . . . 0.0 110.971 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.7 -24.94 67.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.686 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.6 p -82.74 -41.37 19.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.766 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.59 -48.43 81.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.039 0.447 . . . . 0.0 110.196 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.9 -41.26 78.46 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.329 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -52.68 -44.34 66.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.469 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -25.87 53.45 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.326 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.1 mtt -71.02 -59.93 2.51 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.664 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.92 97.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 32.4 t90 -63.43 -37.85 88.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.807 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.7 m -66.82 -43.35 84.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.313 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.24 -42.94 97.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.873 0.368 . . . . 0.0 110.446 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.64 -39.54 98.03 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -69.28 -38.96 78.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.791 0.329 . . . . 0.0 111.2 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.777 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 59.6 mp0 . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 120.66 0.267 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . 0.616 ' HD2' HD11 ' B' ' 10' ' ' ILE . 51.5 Cg_exo -51.72 -37.34 64.52 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.637 2.225 . . . . 0.0 111.929 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.57 -71.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.365 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -160.76 160.61 31.5 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.67 -42.21 93.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.85 0.357 . . . . 0.0 110.753 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 64.1 mt -68.03 -35.09 77.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.942 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.6 t -70.94 -43.69 67.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.142 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.616 HD11 ' HD2' ' B' ' 4' ' ' PRO . 85.7 mt -65.43 -45.28 93.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 94.6 m -60.7 -51.2 70.38 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.549 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.7 m -59.63 -38.31 81.02 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.477 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.56 -50.24 74.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.1 mt -67.19 -41.78 87.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.003 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.34 -25.5 68.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.592 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 59.6 p -82.06 -41.89 19.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.699 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.27 -48.57 81.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.189 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.61 -41.29 79.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.366 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -52.62 -44.94 66.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.396 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -26.34 56.22 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.292 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 46.5 mtt -70.73 -59.91 2.55 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.724 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.01 -41.86 97.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.78 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -63.33 -38.52 91.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.715 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 8.2 m -66.15 -43.88 85.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.31 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.84 -42.84 96.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.396 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.66 -40.01 98.62 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -68.62 -39.84 80.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 111.15 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.735 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 59.6 mp0 . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.627 0.251 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . 0.601 ' HD2' HD11 ' C' ' 10' ' ' ILE . 52.3 Cg_exo -51.71 -37.0 63.77 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.555 2.17 . . . . 0.0 112.055 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.9 -71.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.442 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -161.18 160.7 30.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.096 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.73 -42.52 94.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.875 0.369 . . . . 0.0 110.762 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 63.4 mt -67.73 -35.37 78.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 46.7 t -70.74 -43.67 68.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.1 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.601 HD11 ' HD2' ' C' ' 4' ' ' PRO . 85.5 mt -65.5 -45.13 93.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 93.9 m -60.89 -51.2 70.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.574 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.7 m -59.45 -38.48 80.85 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.458 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -59.4 -50.25 74.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 94.7 mt -67.13 -42.02 87.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.033 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.05 -25.86 68.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.587 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 59.6 p -81.57 -42.04 20.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.731 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.75 80.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.139 0.495 . . . . 0.0 110.152 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.46 -41.45 80.17 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.284 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -52.3 -45.29 65.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.374 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -26.23 56.43 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.265 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 46.3 mtt -70.78 -60.04 2.47 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.686 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.89 97.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.821 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -63.12 -38.76 92.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.712 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 8.1 m -66.05 -44.09 85.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.288 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.58 -43.0 96.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.414 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.45 -40.31 98.91 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -68.23 -40.09 82.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 111.148 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.717 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.697 0.285 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 4' ' ' PRO . . . . . 0.62 ' HD2' HD11 ' D' ' 10' ' ' ILE . 52.5 Cg_exo -51.92 -36.87 65.62 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.64 2.227 . . . . 0.0 111.985 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.04 -71.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.344 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -161.23 160.69 30.27 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.69 -42.37 94.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.785 0.326 . . . . 0.0 110.748 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 63.9 mt -68.02 -34.87 77.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -71.28 -43.42 67.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.141 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.62 HD11 ' HD2' ' D' ' 4' ' ' PRO . 85.0 mt -65.7 -45.05 93.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 92.0 m -60.96 -51.23 70.14 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.496 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 74.4 m -59.65 -38.09 80.47 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.5 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.74 -50.0 75.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.984 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 94.2 mt -67.44 -41.64 86.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.862 0.363 . . . . 0.0 111.035 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 45.2 mt -64.44 -25.43 68.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.666 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 63.7 p -82.17 -41.61 20.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.643 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.43 81.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.126 0.489 . . . . 0.0 110.193 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -68.77 -41.48 78.76 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.228 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -52.35 -44.92 65.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.457 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.41 -25.98 55.06 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.263 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 46.0 mtt -70.97 -60.04 2.45 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.683 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.79 97.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -63.18 -38.36 90.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.757 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 7.8 m -66.44 -43.71 84.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.273 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.02 -42.97 96.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.415 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.48 -39.91 98.42 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -68.67 -39.63 80.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 111.063 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.648 0.261 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -50.62 -42.52 49.59 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.549 2.166 . . . . 0.0 112.079 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -157.45 -58.4 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.486 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -172.52 170.02 4.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.475 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.8 mp -59.08 -39.35 78.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.542 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.85 -32.57 73.83 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.42 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.5 m -74.59 -38.84 62.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.083 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.7 -46.76 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.728 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.0 m -62.04 -51.21 68.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.97 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.5 t -55.4 -40.23 71.16 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.355 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.7 -47.83 84.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.37 -43.18 97.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 121.094 0.473 . . . . 0.0 110.583 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.88 -28.23 69.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.418 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.9 m -73.59 -45.7 51.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.859 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.72 -51.86 67.81 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.134 0.492 . . . . 0.0 110.207 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.3 -39.61 89.45 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.057 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -49.6 -53.14 25.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.818 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -22.25 58.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.247 0.342 . . . . 0.0 111.002 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.7 mtp -70.92 -61.81 1.62 Allowed 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.425 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.23 -40.91 94.69 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.042 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 71.3 t90 -61.9 -42.89 99.61 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.669 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.6 m -63.73 -43.82 95.36 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.25 -45.77 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.356 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.09 -43.5 98.23 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.79 -43.21 76.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.828 0.347 . . . . 0.0 110.353 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.635 -179.83 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.678 0.275 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -50.41 -42.58 47.87 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.507 2.138 . . . . 0.0 112.208 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -157.36 -58.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.546 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -172.35 169.99 5.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.395 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.4 ' H ' HD12 ' B' ' 7' ' ' ILE . 2.8 mp -59.09 -39.3 78.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.549 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.77 -32.49 73.65 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.465 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 64.4 m -74.81 -38.76 62.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.147 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.71 -46.78 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.698 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.93 -51.13 69.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.1 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.8 t -55.63 -40.0 71.59 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.392 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.87 -47.74 84.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.603 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.3 -43.29 97.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.14 0.495 . . . . 0.0 110.658 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 63.4 mt -62.91 -28.05 69.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.281 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 73.0 m -73.67 -45.64 51.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.94 -51.89 67.78 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.176 0.512 . . . . 0.0 110.256 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.18 -39.66 89.9 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.023 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -49.51 -53.1 25.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.896 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -22.09 58.78 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 123.37 0.419 . . . . 0.0 111.052 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 3.7 mtp -71.04 -62.02 1.55 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.344 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.95 95.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.072 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 70.9 t90 -61.96 -42.82 99.55 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.731 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m -64.01 -43.43 95.64 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.928 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.49 -45.83 97.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.317 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.09 -43.29 98.43 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -43.05 77.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.375 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 50.7 tp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.705 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.617 0.246 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -50.4 -42.66 47.55 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.554 2.169 . . . . 0.0 112.159 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -157.29 -58.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -172.42 170.12 5.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.421 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.4 HD12 ' H ' ' C' ' 7' ' ' ILE . 2.9 mp -59.2 -39.31 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.569 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.65 -32.62 73.71 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.146 0.498 . . . . 0.0 110.486 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 63.0 m -74.81 -38.68 62.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.122 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.84 -46.57 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.687 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 85.0 m -62.12 -51.16 69.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.04 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 37.9 t -55.54 -40.2 71.56 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.278 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -59.64 -47.91 83.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.611 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.24 -43.24 97.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-O 121.084 0.469 . . . . 0.0 110.585 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 63.3 mt -63.02 -28.01 69.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.282 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 73.4 m -73.64 -45.75 50.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.779 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.76 -52.02 67.15 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.211 0.529 . . . . 0.0 110.2 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 74.2 mt -66.14 -39.62 89.97 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.069 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -49.57 -53.21 25.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.742 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -22.27 58.89 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 123.315 0.384 . . . . 0.0 111.086 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 3.6 mtp -70.98 -61.88 1.6 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.36 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.91 94.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.062 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -61.93 -42.97 99.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.651 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m -63.81 -43.63 95.67 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.33 -45.96 97.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.397 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.01 -43.43 98.2 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -43.18 76.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.807 0.337 . . . . 0.0 110.361 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.67 -179.878 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.582 0.229 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.61 -42.61 49.17 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.496 2.131 . . . . 0.0 112.121 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -157.32 -58.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.423 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -172.31 170.06 5.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.426 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -59.04 -39.31 78.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.551 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.89 -32.52 73.8 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.457 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 63.5 m -74.67 -38.92 62.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.139 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.8 -46.63 93.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 85.8 m -62.02 -51.1 69.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.01 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -55.6 -40.1 71.63 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.411 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.87 -47.75 84.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.29 -43.19 97.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.08 0.467 . . . . 0.0 110.596 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 64.5 mt -63.12 -27.93 69.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -73.91 -45.57 49.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.765 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.85 67.88 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.152 0.501 . . . . 0.0 110.167 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.21 -39.73 89.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 110.035 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -49.65 -52.85 27.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.822 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -22.34 58.37 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.339 0.4 . . . . 0.0 111.025 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 3.6 mtp -70.96 -61.45 1.76 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.98 0.419 . . . . 0.0 111.476 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.02 93.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.063 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 70.6 t90 -61.84 -42.74 99.41 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.678 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 18.8 m -63.91 -43.62 95.4 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.978 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.46 -45.75 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.377 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.14 -43.33 98.46 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.94 -43.13 77.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 110.347 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 52.0 tp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.582 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 CA--C 1.537 0.452 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -71.47 -33.76 10.44 Favored 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.107 1.871 . . . . 0.0 112.406 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -155.17 -79.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.63 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -148.91 166.65 27.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.484 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.88 -38.77 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.357 0.598 . . . . 0.0 110.473 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.88 -34.95 74.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.2 t -68.23 -44.29 76.05 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.856 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 pt -68.92 -30.96 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.217 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -63.13 -52.37 62.79 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.8 t -60.26 -36.55 78.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.492 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -59.24 -50.72 72.93 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.41 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 11.6 mm -66.1 -39.62 84.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.351 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.08 -63.43 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.7 m -47.81 -36.51 11.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.236 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . -59.82 -53.38 58.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.263 0.554 . . . . 0.0 110.79 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -70.42 -20.39 62.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.707 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -68.98 -45.31 70.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.119 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.37 -23.11 47.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.74 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.73 -60.43 2.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.194 0.521 . . . . 0.0 111.026 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.36 95.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.989 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -62.26 -37.09 84.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.569 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -65.88 -43.63 87.74 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.004 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.02 -43.84 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.42 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.5 -41.09 99.81 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -60.12 -42.55 94.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.0 mt . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.58 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -71.54 -33.75 10.3 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 122.086 1.857 . . . . 0.0 112.362 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -155.14 -79.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.626 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -149.16 166.56 28.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.418 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.77 -38.73 74.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.278 0.561 . . . . 0.0 110.5 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.79 -35.19 74.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.0 t -67.9 -44.67 76.41 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.809 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 43.3 pt -68.48 -31.15 50.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.263 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 52.9 t -63.03 -52.28 63.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.0 t -60.29 -36.76 78.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.461 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -59.07 -50.92 72.21 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.051 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.416 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 11.6 mm -66.03 -39.49 84.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.367 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.09 -63.62 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 58.0 m -47.39 -36.9 10.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 110.184 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' B' ' 14' ' ' ILE . . . -59.59 -53.56 56.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.219 0.533 . . . . 0.0 110.708 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -70.39 -20.15 62.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -69.24 -45.24 70.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.186 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.26 -23.33 47.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.745 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.53 -60.59 2.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.117 0.484 . . . . 0.0 110.977 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.68 -42.32 95.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.005 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 48.1 t90 -62.25 -37.19 84.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.521 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -65.71 -43.85 87.86 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.964 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.86 -43.76 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.449 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.61 -41.2 99.84 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -60.06 -42.7 95.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.828 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.643 -179.89 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 . . . . . 0 CA--C 1.537 0.474 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -71.44 -33.88 10.32 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.088 1.858 . . . . 0.0 112.406 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -155.05 -79.66 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.62 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -148.86 166.67 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.529 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.83 -38.8 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.333 0.587 . . . . 0.0 110.501 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.77 -35.16 74.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 37.2 t -68.01 -44.46 76.48 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.781 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 pt -68.79 -31.01 49.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.174 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 53.1 t -63.19 -52.36 62.64 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 47.0 t -60.21 -36.64 78.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -59.1 -50.88 72.37 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . 0.408 ' O ' ' HB3' ' C' ' 17' ' ' ALA . 11.5 mm -66.05 -39.62 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.388 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 52.6 mt -58.06 -63.47 1.25 Allowed 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 57.8 m -47.67 -36.62 11.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.744 0.307 . . . . 0.0 110.186 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' C' ' 14' ' ' ILE . . . -59.77 -53.4 58.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.257 0.551 . . . . 0.0 110.781 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.7 mt -70.38 -20.45 62.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.708 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -68.95 -45.38 70.88 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.111 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.3 -23.17 47.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.763 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 19.3 mmt -70.52 -60.46 2.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.138 0.494 . . . . 0.0 111.062 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.78 -42.31 95.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.949 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -62.24 -37.25 84.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -65.7 -43.82 88.02 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.954 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.83 -43.82 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.502 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.53 -41.21 99.81 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -60.05 -42.66 94.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.678 -179.933 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -71.45 -33.87 10.33 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 122.095 1.864 . . . . 0.0 112.342 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -155.12 -79.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.711 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -149.23 166.54 28.57 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.393 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.81 -38.65 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.311 0.577 . . . . 0.0 110.479 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.87 -35.22 74.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 37.1 t -67.91 -44.61 76.53 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.827 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 pt -68.51 -31.18 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.287 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -63.06 -52.28 63.39 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -60.36 -36.77 78.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.368 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -58.93 -51.07 71.64 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.019 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 11.6 mm -66.01 -39.18 83.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.35 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 50.2 mt -59.59 -60.75 3.35 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.873 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 57.8 m -49.17 -36.58 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.175 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.67 -53.54 56.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.227 0.537 . . . . 0.0 110.727 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 59.3 mt -70.28 -20.23 63.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.729 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -69.22 -45.28 70.22 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.123 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.2 -23.48 47.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.726 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.39 -60.59 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.202 0.525 . . . . 0.0 111.042 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.21 95.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.078 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 47.9 t90 -62.3 -37.24 84.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.583 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -65.73 -43.78 88.0 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.984 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.97 -43.55 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.48 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.74 -41.19 99.88 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -60.03 -42.69 94.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.751 0.31 . . . . 0.0 110.845 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.625 -179.885 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 120.438 0.161 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.72 -39.87 0.62 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.583 2.189 . . . . 0.0 112.085 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.98 -75.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.525 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -147.5 163.08 37.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.613 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.4 pt -59.09 -32.49 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.101 0.477 . . . . 0.0 110.543 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.0 mt -72.42 -32.32 66.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.895 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -71.91 -42.27 66.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.307 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.5 pt -71.05 -35.25 58.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.636 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.6 m -64.52 -52.43 57.79 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.536 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.4 p -62.45 -32.51 73.4 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.171 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -59.98 -50.34 74.14 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 mm -67.04 -44.48 88.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.982 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.23 -27.16 69.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.486 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -75.06 -44.88 45.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.562 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.52 -46.82 87.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.406 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.53 -23.47 58.81 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.498 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -66.34 -50.1 64.73 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.111 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -23.6 56.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.44 -60.23 2.39 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.349 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.82 93.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.232 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -63.08 -40.97 99.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.631 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 m -65.53 -43.1 91.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.092 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.3 -44.04 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.518 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.47 -41.97 99.74 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -61.05 -42.0 97.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.659 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.706 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 120.506 0.194 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -76.85 -39.78 0.6 Allowed 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 122.601 2.201 . . . . 0.0 112.146 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.97 -76.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.49 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -147.27 163.13 37.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.603 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 pt -59.17 -32.35 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.071 0.462 . . . . 0.0 110.593 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 39.2 mt -72.64 -32.11 65.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.848 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -72.08 -41.95 66.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.417 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 pt -71.3 -35.21 56.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.591 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 65.7 m -64.51 -52.56 57.21 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.44 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 91.1 p -62.51 -32.35 73.26 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.177 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -60.06 -50.23 74.54 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.887 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 10.7 mm -67.14 -44.58 87.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.901 0.381 . . . . 0.0 110.962 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.19 -27.03 69.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.565 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -75.08 -44.7 45.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.567 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.76 88.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.496 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 44.1 mt -74.54 -23.56 58.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.466 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -66.13 -50.15 65.0 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.24 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.77 -23.31 55.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.67 -60.42 2.27 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.286 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.96 95.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.359 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -63.19 -40.85 98.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.598 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 17.4 m -65.8 -42.89 90.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.044 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.4 -44.18 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.461 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.39 -41.83 99.74 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -61.1 -41.88 97.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.626 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.745 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 . . . . . 0 CA--C 1.53 0.196 0 CA-C-O 120.511 0.196 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.6 -39.89 0.65 Allowed 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.551 2.167 . . . . 0.0 112.122 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.97 -75.95 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.527 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -147.65 162.87 38.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.627 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 25.5 pt -58.91 -32.34 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.542 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 38.9 mt -72.51 -32.32 66.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.817 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -72.06 -42.27 66.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.259 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 28.4 pt -70.91 -35.5 60.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.569 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 65.4 m -64.37 -52.17 59.64 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.577 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 91.9 p -62.77 -32.45 73.61 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.178 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -60.0 -50.45 73.67 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.809 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 mm -67.05 -44.26 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.042 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.5 -26.79 68.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.476 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 47.5 t -75.36 -44.76 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.536 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.91 87.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.42 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 44.1 mt -74.5 -23.26 58.82 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.522 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -66.59 -49.81 65.11 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.267 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.93 -23.68 55.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.772 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.36 -60.24 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.317 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.92 93.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.132 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 67.8 t90 -63.16 -40.7 98.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.694 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 17.4 m -65.81 -43.01 89.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.037 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.27 -44.08 97.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.5 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.86 99.74 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -61.2 -41.84 97.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.814 0.34 . . . . 0.0 110.662 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.748 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 120.51 0.195 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.83 -40.88 0.83 Allowed 'Trans proline' 0 N--CA 1.49 1.302 0 C-N-CA 122.717 2.278 . . . . 0.0 112.228 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.78 -75.95 0.17 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.58 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -147.46 162.93 38.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.625 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 25.3 pt -59.04 -32.37 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.101 0.477 . . . . 0.0 110.562 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 38.8 mt -72.53 -32.29 66.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.884 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 35.3 t -71.98 -42.1 66.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.32 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.407 HD13 HG21 ' D' ' 10' ' ' ILE . 28.4 pt -71.07 -35.28 58.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.693 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 65.8 m -64.43 -52.54 57.54 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.527 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 91.9 p -62.46 -32.42 73.29 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.151 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -60.08 -50.32 74.17 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.794 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 10.5 mm -67.07 -44.52 88.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.911 0.386 . . . . 0.0 110.974 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.19 -27.11 69.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.533 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 47.4 t -75.15 -44.69 45.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.587 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.85 87.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.478 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 43.7 mt -74.52 -23.36 58.81 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.55 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -66.39 -50.09 64.65 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.64 -23.63 56.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.48 -60.33 2.33 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.306 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.94 94.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.214 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 67.8 t90 -63.05 -41.04 99.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.584 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 17.5 m -65.41 -43.21 91.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.008 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.2 -44.22 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.416 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.34 -42.04 99.73 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -60.99 -42.01 97.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.847 0.356 . . . . 0.0 110.709 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.682 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 120.447 0.165 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -71.02 -45.33 0.94 Allowed 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.46 2.107 . . . . 0.0 112.406 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -140.72 -69.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.454 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.76 164.51 31.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.487 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -51.87 -35.8 18.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.728 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.11 -34.14 77.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -70.91 -40.46 72.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.703 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.73 -48.73 87.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.0 m -61.93 -50.93 70.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.523 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.1 t -54.4 -43.31 71.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.242 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -58.27 -48.6 79.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.011 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.1 mm -63.25 -44.24 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.008 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.29 -33.48 75.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.746 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.6 m -72.32 -49.22 36.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.047 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.64 95.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.021 0.439 . . . . 0.0 110.437 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.04 -40.64 78.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.073 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.23 -42.85 96.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.033 0.444 . . . . 0.0 111.429 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.99 -32.91 61.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.333 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.12 -53.96 11.18 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.57 -43.98 96.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.556 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.425 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 8.3 m95 -70.95 -29.87 66.0 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 119.664 -0.815 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -63.85 -54.83 28.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.886 0.374 . . . . 0.0 110.617 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.51 -41.51 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.501 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.24 -39.77 98.13 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -66.28 -39.64 89.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.763 0.316 . . . . 0.0 111.089 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.701 -179.686 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.437 0.16 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.07 -45.33 0.93 Allowed 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.476 2.117 . . . . 0.0 112.419 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -140.68 -69.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.458 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.73 164.56 31.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.565 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -52.03 -35.67 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.797 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.33 -33.81 76.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.637 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 58.7 m -71.17 -40.27 71.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.823 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.92 -48.72 87.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.697 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 92.6 m -61.98 -50.87 70.37 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.527 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 36.9 t -54.48 -42.96 71.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.364 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -58.5 -48.5 80.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 15.3 mm -63.38 -44.15 98.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.046 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.45 -32.96 74.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -72.8 -48.95 33.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.144 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.58 95.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.441 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.01 -40.54 78.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.182 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.46 -42.43 96.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.975 0.417 . . . . 0.0 111.46 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.45 -32.49 60.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.431 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.48 -53.79 11.09 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -43.98 96.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.593 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.425 ' CE3' ' HA ' ' B' ' 23' ' ' TRP . 8.0 m95 -71.29 -29.27 64.85 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.4 -54.46 32.38 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.741 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.73 -41.49 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.487 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.33 -39.4 97.7 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -66.59 -39.31 88.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.806 0.336 . . . . 0.0 111.17 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.666 -179.729 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 49.0 mp0 . . . . . 0 CA--C 1.531 0.215 0 CA-C-O 120.503 0.192 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -71.07 -45.4 0.91 Allowed 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.447 2.098 . . . . 0.0 112.446 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -140.67 -69.37 0.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.396 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.83 164.45 31.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.543 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -51.77 -35.77 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.753 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.13 -34.33 78.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.509 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -70.64 -40.73 72.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.663 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.63 -48.66 87.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.667 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 93.5 m -62.02 -50.79 70.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.515 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 37.3 t -54.47 -43.45 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.203 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -58.12 -48.7 79.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 15.1 mm -63.21 -44.06 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.016 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.42 -33.52 75.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.75 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -72.17 -49.39 36.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.013 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.72 95.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.349 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.01 -40.59 78.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -60.24 -42.91 96.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.014 0.435 . . . . 0.0 111.457 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -32.95 61.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.265 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.14 -53.86 11.45 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.15 96.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.476 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . 0.426 ' CE3' ' HA ' ' C' ' 23' ' ' TRP . 8.1 m95 -70.93 -30.01 66.2 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.029 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -63.69 -54.87 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.684 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 74.2 mt -61.55 -41.34 89.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.489 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.31 -39.88 98.3 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -66.04 -39.84 90.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 111.179 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.683 -179.609 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 49.0 mp0 . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 120.476 0.179 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.0 -45.37 0.93 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.406 2.071 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -140.6 -69.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.499 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.73 164.52 31.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.481 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -51.75 -36.15 18.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.715 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.93 -34.33 78.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.498 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -70.57 -40.49 73.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.807 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.75 -48.68 87.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.706 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.02 -50.99 69.85 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.444 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t -54.32 -43.34 71.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.208 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -58.19 -48.5 80.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 15.0 mm -63.26 -44.35 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.934 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.15 -33.75 76.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.733 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -71.98 -49.27 38.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.074 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.68 95.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.36 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -68.97 -40.79 78.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.051 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -60.02 -43.09 95.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.04 0.448 . . . . 0.0 111.388 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.88 -32.69 61.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.346 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.18 -53.87 11.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.14 96.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.436 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . 0.418 ' HA ' ' CE3' ' D' ' 23' ' ' TRP . 8.2 m95 -70.9 -29.93 66.14 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 119.654 -0.818 . . . . 0.0 111.115 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -63.7 -54.89 28.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.937 0.399 . . . . 0.0 110.68 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.37 -41.54 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.513 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.21 -40.1 98.54 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -65.79 -39.89 91.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 111.092 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.622 -179.563 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.25 0 CA-C-O 120.517 0.199 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -71.89 -43.79 1.14 Allowed 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.69 2.26 . . . . 0.0 112.103 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -143.09 -85.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.371 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -152.28 160.75 43.29 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.865 0.364 . . . . 0.0 110.349 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 7' ' ' ILE . 19.0 pt -58.75 -34.86 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.407 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.2 -34.03 68.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.673 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.1 t -70.4 -43.63 69.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.726 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.3 mt -63.64 -46.8 93.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.712 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 t -58.97 -51.08 71.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.898 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.0 p -61.11 -39.12 88.77 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.579 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -56.91 -56.0 27.25 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.168 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.25 -40.12 87.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.327 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -64.19 -28.26 69.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.631 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.7 m -73.9 -45.17 52.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.625 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.68 -51.41 70.08 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.261 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.53 -25.53 64.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.819 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -63.22 -52.3 62.77 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.227 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.482 ' O ' HG23 ' A' ' 24' ' ' THR . 0.2 OUTLIER -73.15 -21.93 60.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.511 179.474 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -57.49 5.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.993 0.425 . . . . 0.0 111.063 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.9 -39.72 93.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.016 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -62.03 -41.51 98.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.557 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 20' ' ' PHE . 17.3 p -67.67 -37.73 82.77 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.701 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.66 -45.2 99.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.603 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.16 -42.1 99.52 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -60.42 -42.48 96.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 110.666 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.7 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.656 -179.803 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 120.489 0.185 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.82 -44.0 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.681 2.254 . . . . 0.0 112.063 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -142.94 -85.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.408 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -152.1 161.02 43.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.961 0.41 . . . . 0.0 110.313 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.3 pt -59.0 -34.92 54.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.27 -33.8 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.707 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 42.8 t -70.58 -43.45 69.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.779 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.61 -46.81 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.799 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.13 -51.02 71.82 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.932 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 80.9 p -61.14 -38.81 87.72 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.655 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -57.18 -55.84 29.59 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.258 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.31 -40.17 88.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.863 0.363 . . . . 0.0 110.451 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -64.19 -28.23 69.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.608 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.5 m -74.0 -44.97 52.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.647 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.77 -51.29 70.61 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.299 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.75 -25.49 63.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.888 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -63.17 -52.29 62.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.184 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.495 ' O ' HG23 ' B' ' 24' ' ' THR . 0.2 OUTLIER -73.19 -21.76 60.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.485 179.447 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -57.67 4.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.058 0.456 . . . . 0.0 111.034 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.54 93.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -62.11 -41.32 98.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.625 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.495 HG23 ' O ' ' B' ' 20' ' ' PHE . 17.5 p -67.84 -37.7 82.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.764 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 81.9 mt -62.55 -45.32 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.624 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.09 99.62 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -60.28 -42.35 95.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.756 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 87.8 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.686 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.532 0.206 . . . . 0.0 110.78 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -71.78 -44.06 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.703 2.268 . . . . 0.0 112.129 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -142.88 -85.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.337 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -152.05 161.05 43.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.944 0.402 . . . . 0.0 110.301 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.404 HG21 HD13 ' C' ' 7' ' ' ILE . 19.3 pt -59.03 -34.97 54.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.322 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 90.2 mt -72.11 -33.98 68.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.625 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 42.3 t -70.48 -43.57 69.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.682 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.53 -46.83 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.784 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 24.0 t -59.01 -51.2 71.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.93 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -60.85 -39.25 88.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.636 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -56.78 -56.09 26.02 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.225 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.19 -40.21 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.367 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.99 -28.52 69.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.58 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 67.8 m -73.8 -45.18 53.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.563 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.43 -51.46 69.73 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.269 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.47 -26.0 64.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -62.98 -52.31 63.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.033 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.493 ' O ' HG23 ' C' ' 24' ' ' THR . 0.2 OUTLIER -73.04 -21.94 60.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 179.549 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -57.65 5.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.001 0.429 . . . . 0.0 111.021 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.57 93.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.122 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -61.99 -41.65 98.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.584 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . 0.493 HG23 ' O ' ' C' ' 20' ' ' PHE . 17.7 p -67.44 -37.84 83.62 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.77 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -62.47 -45.32 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.574 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.04 -42.36 99.64 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -60.18 -42.59 95.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.769 0.319 . . . . 0.0 110.649 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.688 -179.777 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.312 0 CA-C-O 120.578 0.228 . . . . 0.0 110.733 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -71.92 -43.86 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.703 2.268 . . . . 0.0 112.114 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -143.06 -85.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.366 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -152.03 161.03 43.27 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.371 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 pt -59.0 -34.98 54.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.33 -33.72 67.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.629 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 41.2 t -70.6 -43.43 69.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.814 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.78 -46.74 93.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.805 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 24.1 t -59.03 -51.12 71.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.955 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -61.12 -38.84 87.78 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.667 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -57.2 -55.73 30.95 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.303 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.42 -40.25 88.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.412 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.01 -28.16 69.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.662 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -74.11 -44.91 52.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.654 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.72 -51.62 69.2 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.218 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.25 -25.78 64.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.934 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -63.05 -52.29 63.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.182 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.49 ' O ' HG23 ' D' ' 24' ' ' THR . 0.2 OUTLIER -73.19 -21.7 60.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.462 179.507 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.41 -57.64 5.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.07 0.462 . . . . 0.0 111.064 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.91 -39.56 93.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.046 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -62.1 -41.33 98.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.652 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . 0.49 HG23 ' O ' ' D' ' 20' ' ' PHE . 17.5 p -67.88 -37.62 82.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.71 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.59 -45.35 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.624 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.03 -42.18 99.69 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -60.46 -42.16 95.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.765 0.317 . . . . 0.0 110.796 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 110.688 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 110.536 -0.172 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.545 ' CG ' HD11 ' A' ' 10' ' ' ILE . 60.6 Cg_endo -74.37 -38.44 1.98 Allowed 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.335 2.024 . . . . 0.0 112.491 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.73 -84.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.251 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -148.71 161.43 41.78 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.854 0.359 . . . . 0.0 110.366 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.4 mm -64.07 -42.62 96.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.476 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.23 -35.29 76.0 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.744 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.7 p -69.52 -42.27 74.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.356 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.545 HD11 ' CG ' ' A' ' 4' ' ' PRO . 4.1 mm -65.19 -41.68 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.632 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.405 ' O ' HG22 ' A' ' 14' ' ' ILE . 95.9 m -59.39 -50.13 75.15 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.766 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 15' ' ' LEU . 47.8 t -59.8 -40.3 87.88 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.76 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -60.45 -51.61 68.75 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.082 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 11' ' ' CYS . 18.6 tt -66.01 -31.56 54.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.251 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 12' ' ' SER . 19.5 mt -62.11 -63.47 1.24 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.4 p -52.3 -36.87 54.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.887 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.34 -47.35 86.31 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.174 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.09 -36.21 83.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.652 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -37.55 85.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.436 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.86 -36.17 62.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.907 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.1 mtt -72.05 -52.66 15.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.911 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.66 -42.43 98.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.118 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -74.01 -27.54 61.01 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.566 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.83 -55.79 17.4 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.647 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.05 -43.21 92.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.36 -36.51 92.6 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -72.83 -36.2 67.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.913 0.387 . . . . 0.0 111.149 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 -179.523 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 . . . . . 0 CA--C 1.534 0.328 0 N-CA-C 110.485 -0.191 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . 0.544 ' CG ' HD11 ' B' ' 10' ' ' ILE . 61.1 Cg_endo -74.31 -38.47 2.0 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.375 2.05 . . . . 0.0 112.599 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.71 -84.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.341 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -148.68 161.52 41.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.781 0.324 . . . . 0.0 110.385 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 21.1 mm -64.17 -42.76 96.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.365 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.1 -35.44 76.47 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.736 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 88.4 p -69.34 -42.44 75.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.245 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.544 HD11 ' CG ' ' B' ' 4' ' ' PRO . 4.2 mm -65.04 -41.64 92.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.679 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . 0.409 ' O ' HG22 ' B' ' 14' ' ' ILE . 96.7 m -59.48 -50.14 75.07 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.379 -0.529 . . . . 0.0 109.762 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . 0.423 ' HA ' HD12 ' B' ' 15' ' ' LEU . 47.7 t -59.75 -40.3 87.67 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.727 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -60.37 -51.74 68.2 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.09 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.409 HG22 ' O ' ' B' ' 11' ' ' CYS . 18.6 tt -65.83 -31.6 54.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.335 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' B' ' 12' ' ' SER . 19.6 mt -61.99 -63.95 1.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 88.8 p -51.73 -37.11 49.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.902 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.41 86.24 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.17 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.01 -36.25 83.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -37.74 85.59 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.405 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.56 -36.39 63.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.801 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 59.1 mtt -71.93 -52.52 16.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.909 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.78 99.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.038 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -73.76 -27.8 61.35 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.634 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.58 -56.11 16.08 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.871 0.367 . . . . 0.0 110.468 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.84 -43.23 93.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.25 -36.78 92.94 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -72.45 -36.63 68.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.945 0.402 . . . . 0.0 111.109 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.875 -179.461 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 110.577 -0.157 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . 0.546 ' CG ' HD11 ' C' ' 10' ' ' ILE . 61.1 Cg_endo -74.13 -38.6 2.05 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.386 2.058 . . . . 0.0 112.627 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -148.66 -84.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.328 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -148.63 161.56 41.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.777 0.322 . . . . 0.0 110.405 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 mm -64.17 -42.76 96.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.345 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.16 -35.4 76.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.733 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 88.6 p -69.3 -42.4 75.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.328 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.546 HD11 ' CG ' ' C' ' 4' ' ' PRO . 4.1 mm -65.17 -41.56 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . 0.401 ' O ' HG22 ' C' ' 14' ' ' ILE . 96.5 m -59.46 -50.12 75.15 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.388 -0.525 . . . . 0.0 109.809 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.429 ' HA ' HD12 ' C' ' 15' ' ' LEU . 47.7 t -59.8 -40.27 87.75 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.714 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -60.4 -51.76 68.11 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.06 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . 0.401 HG22 ' O ' ' C' ' 11' ' ' CYS . 18.7 tt -65.81 -31.54 54.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.328 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' C' ' 12' ' ' SER . 19.5 mt -62.1 -63.66 1.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 88.5 p -52.14 -36.89 52.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.37 86.44 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.23 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.04 -36.44 84.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.658 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.44 -37.69 85.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.419 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.57 -36.39 63.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.984 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 59.2 mtt -71.95 -52.42 17.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.944 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.63 99.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.088 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 24.0 m95 -73.8 -27.69 61.26 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.536 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.66 -56.06 16.19 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.568 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.75 -43.35 93.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.16 -36.79 92.91 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -72.43 -36.62 68.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.928 0.394 . . . . 0.0 111.099 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.822 -179.419 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 4' ' ' PRO . . . . . 0.555 ' HG3' HD11 ' D' ' 10' ' ' ILE . 60.9 Cg_endo -73.58 -38.9 2.21 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.467 2.111 . . . . 0.0 112.545 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.59 -84.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.337 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -148.52 161.51 41.51 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.841 0.353 . . . . 0.0 110.378 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 mm -64.2 -42.62 96.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.387 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.23 -35.32 76.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.751 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 88.5 p -69.42 -42.41 75.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.29 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.555 HD11 ' HG3' ' D' ' 4' ' ' PRO . 4.2 mm -65.08 -41.66 92.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 11' ' ' CYS . . . . . 0.406 ' O ' HG22 ' D' ' 14' ' ' ILE . 95.8 m -59.44 -50.14 75.07 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.421 -0.512 . . . . 0.0 109.761 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . 0.433 ' HA ' HD12 ' D' ' 15' ' ' LEU . 47.8 t -59.86 -40.21 87.85 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.775 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.38 -51.65 68.58 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.093 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . 0.406 HG22 ' O ' ' D' ' 11' ' ' CYS . 18.7 tt -66.12 -31.16 52.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.287 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' D' ' 12' ' ' SER . 18.8 mt -63.4 -60.88 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.458 -0.497 . . . . 0.0 109.877 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 88.0 p -54.01 -36.65 63.21 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.745 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.38 86.27 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.139 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.06 -36.3 83.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.719 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -37.55 85.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.388 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -36.18 62.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.879 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 59.3 mtt -72.13 -52.61 15.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.869 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.66 99.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.088 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -73.85 -27.58 61.16 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.516 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.84 -55.9 16.75 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.606 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.04 -43.2 92.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.37 -36.45 92.52 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -72.81 -36.29 67.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.867 0.365 . . . . 0.0 111.076 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.78 -179.506 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 120.651 0.263 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.561 ' HD2' HD11 ' A' ' 10' ' ' ILE . 44.7 Cg_exo -54.76 -39.71 88.22 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.774 2.316 . . . . 0.0 112.11 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.47 -71.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.474 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -151.32 160.0 44.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.516 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.91 -33.51 49.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.547 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.67 -68.26 0.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.46 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.1 p -47.69 -32.37 5.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.172 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.561 HD11 ' HD2' ' A' ' 4' ' ' PRO . 71.0 mt -70.12 -46.88 70.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 121.11 0.481 . . . . 0.0 111.015 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.1 m -60.78 -48.15 83.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.18 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.8 m -64.52 -30.42 71.45 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.462 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.21 -49.71 76.06 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 120.954 0.407 . . . . 0.0 110.563 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 87.3 mt -66.53 -41.52 88.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.853 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.05 -64.23 1.02 Allowed 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.189 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.6 t -44.19 -38.81 3.96 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . -57.87 -58.07 9.98 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.311 0.577 . . . . 0.0 110.624 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.22 -19.17 65.85 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.909 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -69.66 -47.96 61.48 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.36 -22.92 57.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.267 0.354 . . . . 0.0 110.777 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 34.4 mmt -71.21 -60.73 2.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.074 0.464 . . . . 0.0 111.29 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.3 90.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.918 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -62.21 -40.85 97.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.452 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.7 m -64.66 -41.87 95.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.794 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.7 -45.25 97.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.535 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.51 -43.34 99.16 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -56.84 -44.54 82.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.638 0.256 . . . . 0.0 110.376 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.722 179.718 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.73 0.3 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . 0.558 ' HD2' HD11 ' B' ' 10' ' ' ILE . 45.7 Cg_exo -54.71 -39.53 88.84 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.705 2.27 . . . . 0.0 112.151 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.72 -71.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.529 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -151.2 159.76 44.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.61 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 91.0 mt -58.72 -33.65 49.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.469 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.37 -68.92 0.3 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.345 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 90.4 p -47.24 -32.36 4.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.202 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.558 HD11 ' HD2' ' B' ' 4' ' ' PRO . 71.8 mt -70.21 -46.87 70.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.96 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 94.5 m -60.81 -48.24 82.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.107 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.0 m -64.32 -30.52 71.56 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.407 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -61.04 -49.79 75.95 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.033 0.444 . . . . 0.0 110.624 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . 0.422 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 87.6 mt -66.49 -41.73 89.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.828 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.84 -64.43 0.96 Allowed 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.209 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 39.3 t -44.05 -38.76 3.74 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 14' ' ' ILE . . . -58.0 -57.86 10.95 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.21 0.529 . . . . 0.0 110.56 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.53 -19.11 65.79 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.793 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -69.7 -47.9 61.51 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.21 -22.99 57.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.745 0.307 . . . . 0.0 110.925 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 34.4 mmt -71.46 -60.75 2.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.025 0.44 . . . . 0.0 111.249 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.34 91.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.971 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -62.21 -41.06 98.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.527 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 17.8 m -64.62 -41.87 95.89 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.708 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.53 -45.35 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.528 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.34 -43.66 98.76 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -56.66 -44.54 81.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.633 0.254 . . . . 0.0 110.32 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.79 179.728 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.723 0.297 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . 0.54 ' HD2' HD11 ' C' ' 10' ' ' ILE . 44.2 Cg_exo -54.98 -39.33 91.34 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.766 2.311 . . . . 0.0 112.12 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.9 -71.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.534 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -150.98 159.92 44.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 92.2 mt -58.93 -33.31 49.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.064 0.459 . . . . 0.0 110.644 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.74 -68.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.429 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 89.6 p -47.52 -32.35 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.142 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.54 HD11 ' HD2' ' C' ' 4' ' ' PRO . 71.5 mt -70.27 -46.8 70.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.016 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 88.4 m -60.92 -48.25 82.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.132 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 64.1 m -64.25 -30.6 71.65 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.408 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -60.95 -49.82 75.92 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.016 0.436 . . . . 0.0 110.596 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . 0.426 ' O ' ' HB3' ' C' ' 17' ' ' ALA . 88.2 mt -66.45 -41.82 89.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.824 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.82 -64.22 1.03 Allowed 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.189 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 39.4 t -44.23 -38.8 4.02 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' C' ' 14' ' ' ILE . . . -57.87 -57.78 11.28 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.233 0.54 . . . . 0.0 110.596 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.64 -19.15 65.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.838 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -69.63 -47.92 61.77 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.27 -23.09 57.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 34.3 mmt -71.15 -60.61 2.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.047 0.451 . . . . 0.0 111.44 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.13 90.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.941 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -62.15 -41.12 97.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.469 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 17.7 m -64.53 -41.93 96.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.67 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.47 -45.49 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.579 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.34 -43.85 98.49 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -56.21 -44.78 79.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.736 0.303 . . . . 0.0 110.363 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.794 179.727 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.672 0.272 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 4' ' ' PRO . . . . . 0.551 ' HD2' HD11 ' D' ' 10' ' ' ILE . 44.2 Cg_exo -54.88 -39.89 88.03 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.74 2.293 . . . . 0.0 112.093 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.29 -71.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.495 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -151.37 160.02 43.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.511 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 90.7 mt -59.02 -32.74 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.435 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.24 -63.98 0.96 Allowed 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.555 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 90.3 p -50.14 -32.18 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.551 HD11 ' HD2' ' D' ' 4' ' ' PRO . 71.4 mt -70.29 -47.11 68.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.002 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 88.3 m -60.74 -47.74 84.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.23 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 61.4 m -64.79 -30.58 71.6 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.461 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -61.02 -49.72 76.29 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 120.956 0.408 . . . . 0.0 110.619 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . 0.409 ' O ' ' HB3' ' D' ' 17' ' ' ALA . 88.2 mt -66.53 -41.37 88.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.746 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.38 -61.27 2.56 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.256 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 40.5 t -46.22 -38.47 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' D' ' 14' ' ' ILE . . . -57.94 -57.55 12.32 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.339 0.59 . . . . 0.0 110.657 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.86 -19.13 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.929 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -69.83 -47.45 62.69 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -22.96 55.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.697 0.284 . . . . 0.0 110.82 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 34.3 mmt -71.19 -60.2 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.018 0.437 . . . . 0.0 111.332 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.57 -40.23 88.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.993 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -62.18 -40.45 96.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.486 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 17.8 m -65.13 -41.68 94.62 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.753 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.91 -45.13 98.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.48 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.56 -43.35 99.13 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -56.97 -44.36 82.54 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.791 179.593 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 . . . . . 0 CA--C 1.532 0.28 0 CA-C-O 120.394 0.14 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -75.96 -53.34 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.562 2.175 . . . . 0.0 112.116 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -131.57 -82.55 0.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.413 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -154.05 161.88 41.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.442 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.4 pt -56.31 -32.45 35.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.4 tp -71.45 -34.43 70.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.531 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.7 m -70.97 -42.17 70.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.875 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.77 -45.2 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.802 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.9 m -59.56 -50.72 72.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.195 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -60.38 -38.36 83.66 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.56 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -57.36 12.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.183 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 14' ' ' ILE . 23.3 pt -63.89 -40.18 88.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.08 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.72 -28.4 69.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.108 0.48 . . . . 0.0 110.303 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.6 m -74.07 -44.71 53.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.665 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.1 90.34 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.985 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 tp -73.0 -27.21 61.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.764 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -63.78 -51.5 64.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.47 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -24.19 56.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.561 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.1 mtt -70.29 -59.75 2.69 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.193 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.07 -38.76 92.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.918 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -66.29 -41.52 89.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -63.94 -51.15 65.75 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.526 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 26' ' ' GLY . 34.3 pt -58.57 -40.94 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.383 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.445 ' N ' HG13 ' A' ' 25' ' ' ILE . . . -64.3 -42.95 97.59 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -59.04 -43.58 91.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.73 0.3 . . . . 0.0 110.641 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.547 -179.689 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 110.659 -0.126 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.24 -53.15 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 122.53 2.153 . . . . 0.0 112.182 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.78 -82.48 0.51 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.408 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -154.24 161.71 41.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.421 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 pt -56.13 -32.47 34.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.339 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 29.0 tp -71.39 -34.62 70.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.532 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 71.9 m -70.84 -42.32 70.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.81 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.46 -45.38 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.767 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 96.0 m -59.6 -50.61 73.19 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.221 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.1 m -60.43 -38.44 84.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.508 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.34 -57.63 11.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.091 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 23.2 pt -63.62 -40.12 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.956 0.408 . . . . 0.0 111.142 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 63.8 mt -64.8 -28.36 69.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.125 0.488 . . . . 0.0 110.284 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 68.9 m -74.05 -44.82 52.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.654 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.2 89.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.939 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 28.2 tp -72.9 -27.22 61.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -63.77 -51.5 64.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.54 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.46 -24.39 56.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.539 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 30.2 mtt -70.22 -59.65 2.75 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.594 -0.443 . . . . 0.0 111.244 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.7 91.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.867 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -66.28 -41.5 89.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.052 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -63.96 -51.25 65.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.448 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . 0.45 HG13 ' N ' ' B' ' 26' ' ' GLY . 34.3 pt -58.47 -40.97 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.439 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . 0.45 ' N ' HG13 ' B' ' 25' ' ' ILE . . . -64.28 -43.1 97.45 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -59.04 -43.68 91.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.731 0.3 . . . . 0.0 110.598 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.429 -179.65 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 120.332 0.111 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -76.03 -53.23 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 122.518 2.145 . . . . 0.0 112.119 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -131.7 -82.53 0.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.457 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -154.01 161.9 41.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.468 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 pt -56.27 -32.48 35.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 29.2 tp -71.47 -34.43 70.19 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.469 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 71.9 m -70.99 -42.15 70.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.915 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.65 -45.27 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 96.4 m -59.54 -50.7 72.88 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.241 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.6 m -60.49 -38.18 83.47 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.51 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.5 -57.36 12.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.171 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 22.8 pt -63.89 -40.3 88.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.064 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 63.4 mt -64.61 -28.37 69.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.208 0.527 . . . . 0.0 110.323 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -73.95 -44.79 53.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.696 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.92 91.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.03 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 tp -73.06 -27.18 61.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.741 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -63.78 -51.65 63.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.508 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -24.25 57.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.545 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 30.1 mtt -70.33 -59.68 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.218 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.06 -38.88 92.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -66.12 -41.58 90.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.053 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 16.5 m -63.95 -51.2 65.5 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.446 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . 0.437 HG13 ' N ' ' C' ' 26' ' ' GLY . 34.6 pt -58.51 -41.11 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.375 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . 0.437 ' N ' HG13 ' C' ' 25' ' ' ILE . . . -64.19 -43.09 97.59 Favored Glycine 0 C--N 1.332 0.355 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -58.97 -43.6 91.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.776 0.322 . . . . 0.0 110.668 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.508 -179.736 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 . . . . . 0 CA--C 1.533 0.312 0 CA-C-O 120.394 0.14 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -74.41 -54.13 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.397 0 C-N-CA 122.612 2.208 . . . . 0.0 112.165 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.41 -82.47 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.425 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -154.14 161.89 41.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.54 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 30.6 pt -56.3 -32.49 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.312 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 29.1 tp -71.35 -34.62 70.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.443 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 72.5 m -70.86 -42.22 70.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.827 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.7 -45.23 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.737 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 95.6 m -59.52 -50.83 72.39 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.195 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 71.3 m -60.23 -38.45 83.47 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.499 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -57.5 11.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.067 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 22.9 pt -63.77 -40.19 88.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 120.916 0.389 . . . . 0.0 111.063 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 63.3 mt -64.77 -28.38 69.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.131 0.491 . . . . 0.0 110.242 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 68.6 m -73.75 -45.03 54.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.696 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.18 89.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.052 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 tp -72.87 -27.27 61.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.785 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -63.7 -51.7 63.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.473 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -24.35 57.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.551 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 30.1 mtt -70.15 -59.59 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.516 -0.473 . . . . 0.0 111.202 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.94 92.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.86 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -66.2 -41.58 89.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -63.8 -51.36 65.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.457 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . 0.454 HG13 ' N ' ' D' ' 26' ' ' GLY . 34.5 pt -58.32 -41.11 80.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.451 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . 0.454 ' N ' HG13 ' D' ' 25' ' ' ILE . . . -64.17 -43.15 97.53 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -58.83 -43.85 90.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.746 0.308 . . . . 0.0 110.662 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.514 -179.624 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.545 0.212 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.432 ' HD2' HD11 ' A' ' 10' ' ' ILE . 35.4 Cg_exo -57.07 -39.78 88.51 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.623 2.215 . . . . 0.0 112.049 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -143.1 -81.73 0.19 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.632 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -149.16 168.06 24.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.03 -41.35 85.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.633 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.38 -35.24 80.24 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.638 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -70.78 -41.33 71.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.795 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.432 HD11 ' HD2' ' A' ' 4' ' ' PRO . 6.2 mm -64.64 -44.01 96.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.997 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m -60.5 -50.98 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.379 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -58.66 -38.17 77.58 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.366 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -50.93 71.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.079 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.2 -41.14 91.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.599 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.39 -63.18 1.37 Allowed 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.942 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.0 m -45.48 -40.53 8.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.226 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.73 -61.39 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.413 . . . . 0.0 110.6 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.71 -19.48 63.95 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.086 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 23' ' ' TRP . 3.4 t-160 -69.44 -49.42 55.18 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.026 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.487 ' O ' HG23 ' A' ' 24' ' ' THR . 0.2 OUTLIER -73.76 -23.53 59.74 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.974 179.384 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 80.3 mmm -69.48 -55.41 10.33 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.588 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.24 -38.68 82.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.16 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.408 ' HB2' ' O ' ' A' ' 19' ' ' HIS . 3.9 t90 -62.88 -40.25 96.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.583 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 20' ' ' PHE . 17.8 p -68.2 -39.17 82.52 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.813 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.8 mt -62.61 -46.39 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.641 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.42 99.9 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.28 -44.12 83.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.746 0.308 . . . . 0.0 110.393 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.481 179.771 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 . . . . . 0 CA--C 1.53 0.174 0 CA-C-O 120.581 0.229 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . 0.42 ' HD2' HD11 ' B' ' 10' ' ' ILE . 35.3 Cg_exo -57.14 -39.68 88.83 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 122.597 2.198 . . . . 0.0 112.07 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -143.12 -81.93 0.19 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.642 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -149.06 168.0 24.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.509 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.01 -41.23 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.645 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.46 -35.25 80.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.633 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 75.2 m -70.76 -41.33 71.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.848 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . 0.42 HD11 ' HD2' ' B' ' 4' ' ' PRO . 6.2 mm -64.55 -44.08 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.021 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 82.9 m -60.54 -51.02 71.23 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.295 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 58.5 m -58.66 -38.13 77.48 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.415 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.2 -50.82 72.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.227 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.29 -41.19 91.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.532 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.22 -63.5 1.27 Allowed 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -45.22 -40.51 7.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.262 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.65 -61.72 2.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.975 0.416 . . . . 0.0 110.572 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.45 -19.45 63.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.124 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' HIS . . . . . 0.417 ' O ' ' HB2' ' B' ' 23' ' ' TRP . 3.4 t-160 -69.48 -49.31 55.94 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.108 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.487 ' O ' HG23 ' B' ' 24' ' ' THR . 0.2 OUTLIER -73.87 -23.35 59.59 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.965 179.393 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 80.3 mmm -69.59 -55.48 9.98 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.556 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.88 83.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.257 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.417 ' HB2' ' O ' ' B' ' 19' ' ' HIS . 4.0 t90 -62.92 -40.14 96.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.54 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . 0.487 HG23 ' O ' ' B' ' 20' ' ' PHE . 17.8 p -68.25 -39.14 82.33 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.84 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 79.8 mt -62.69 -46.43 96.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.591 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.95 -41.34 99.91 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.35 -44.05 83.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.786 0.327 . . . . 0.0 110.42 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.471 179.737 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.539 0.209 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' PRO . . . . . 0.421 ' HD2' HD11 ' C' ' 10' ' ' ILE . 35.7 Cg_exo -57.18 -39.81 87.66 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 122.654 2.236 . . . . 0.0 112.074 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -142.98 -81.66 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.637 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -149.39 167.94 24.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.538 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.02 -41.17 85.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.693 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.44 -35.34 80.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.628 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -70.69 -41.37 72.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.763 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.421 HD11 ' HD2' ' C' ' 4' ' ' PRO . 6.1 mm -64.56 -44.04 96.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.983 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 82.4 m -60.54 -50.9 71.71 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.303 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -58.74 -38.25 77.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.384 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -51.03 71.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.104 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 87.5 mt -64.2 -41.06 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.563 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.44 -63.02 1.42 Allowed 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 69.6 m -45.45 -40.82 8.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.203 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.56 -61.43 2.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.97 0.415 . . . . 0.0 110.657 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.73 -19.23 63.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.086 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.74 -49.27 54.72 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.057 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.495 ' O ' HG23 ' C' ' 24' ' ' THR . 0.2 OUTLIER -73.7 -23.73 59.84 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.916 179.376 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 80.4 mmm -69.35 -55.45 10.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.037 0.446 . . . . 0.0 111.558 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.17 -38.64 82.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.208 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -62.95 -40.28 97.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.518 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' THR . . . . . 0.495 HG23 ' O ' ' C' ' 20' ' ' PHE . 17.7 p -68.14 -39.25 82.72 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.821 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.61 -46.26 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.636 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.09 -41.44 99.78 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.671 -0.971 . . . . 0.0 110.671 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -57.34 -44.2 84.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.678 0.275 . . . . 0.0 110.388 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.442 179.799 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 . . . . . 0 CA--C 1.531 0.231 0 CA-C-O 120.506 0.193 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 4' ' ' PRO . . . . . 0.408 ' HD2' HD11 ' D' ' 10' ' ' ILE . 34.6 Cg_exo -57.16 -39.84 87.51 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.651 2.234 . . . . 0.0 112.034 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -143.02 -81.59 0.19 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.664 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -149.37 167.93 24.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.481 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 81.7 mt -59.94 -41.38 85.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.649 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.32 -35.36 80.61 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.58 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 75.8 m -70.68 -41.29 72.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.845 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.408 HD11 ' HD2' ' D' ' 4' ' ' PRO . 6.2 mm -64.5 -44.07 96.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.986 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 83.9 m -60.55 -51.03 71.14 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.25 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 59.0 m -58.56 -38.36 77.68 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.38 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -50.94 71.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.2 -41.08 91.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.496 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.45 -60.41 3.59 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.126 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -47.2 -40.6 16.46 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.85 -60.6 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.659 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.38 -19.32 64.56 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.12 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' D' ' 23' ' ' TRP . 3.4 t-160 -69.53 -49.64 52.53 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.868 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.488 ' O ' HG23 ' D' ' 24' ' ' THR . 0.2 OUTLIER -73.49 -23.79 60.09 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.928 179.514 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 80.1 mmm -69.42 -55.41 10.41 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.535 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.17 -38.71 82.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.193 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' TRP . . . . . 0.408 ' HB2' ' O ' ' D' ' 19' ' ' HIS . 4.0 t90 -62.83 -40.43 97.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.436 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' THR . . . . . 0.488 HG23 ' O ' ' D' ' 20' ' ' PHE . 17.6 p -68.03 -39.2 83.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.781 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.65 -46.32 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.595 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.65 99.85 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.09 -44.39 83.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.729 0.3 . . . . 0.0 110.356 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.473 179.827 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -59.94 -48.81 80.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.627 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -75.69 159.2 81.89 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.859 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.614 ' HD2' HD11 ' A' ' 10' ' ' ILE . 52.1 Cg_exo -51.78 -37.16 64.85 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.573 2.182 . . . . 0.0 111.979 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.69 -71.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.298 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -160.87 160.52 31.12 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.61 -41.95 92.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.925 0.393 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.4 mt -68.55 -34.52 75.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.932 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -71.41 -43.5 66.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.238 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.614 HD11 ' HD2' ' A' ' 4' ' ' PRO . 84.8 mt -65.65 -45.25 92.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.0 m -60.79 -51.05 70.99 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.586 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.8 m -59.83 -38.06 80.97 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.571 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -59.75 -50.12 75.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.0 mt -67.46 -41.55 86.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.764 0.316 . . . . 0.0 110.971 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.7 -24.94 67.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.686 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.6 p -82.74 -41.37 19.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.766 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.59 -48.43 81.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.039 0.447 . . . . 0.0 110.196 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.9 -41.26 78.46 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.329 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -52.68 -44.34 66.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.469 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -25.87 53.45 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.326 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 46.1 mtt -71.02 -59.93 2.51 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.664 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.92 97.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 32.4 t90 -63.43 -37.85 88.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.807 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.7 m -66.82 -43.35 84.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.313 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.24 -42.94 97.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.873 0.368 . . . . 0.0 110.446 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.64 -39.54 98.03 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -69.28 -38.96 78.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.791 0.329 . . . . 0.0 111.2 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.65 141.78 57.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.777 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -136.95 136.07 38.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.489 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -100.22 127.73 46.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.574 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.7 pt -137.38 147.66 26.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.607 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -127.43 100.17 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.547 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.505 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.91 -48.78 80.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.718 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 59.6 mp0 -75.81 159.27 81.47 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.928 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.616 ' HD2' HD11 ' B' ' 10' ' ' ILE . 51.5 Cg_exo -51.72 -37.34 64.52 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.637 2.225 . . . . 0.0 111.929 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.57 -71.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.365 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -160.76 160.61 31.5 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.67 -42.21 93.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.85 0.357 . . . . 0.0 110.753 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 64.1 mt -68.03 -35.09 77.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.942 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 46.6 t -70.94 -43.69 67.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.142 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.616 HD11 ' HD2' ' B' ' 4' ' ' PRO . 85.7 mt -65.43 -45.28 93.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 94.6 m -60.7 -51.2 70.38 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.549 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.7 m -59.63 -38.31 81.02 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.477 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.56 -50.24 74.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.848 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.1 mt -67.19 -41.78 87.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.003 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.34 -25.5 68.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.592 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 59.6 p -82.06 -41.89 19.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.699 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.27 -48.57 81.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.126 0.489 . . . . 0.0 110.189 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.61 -41.29 79.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.366 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -52.62 -44.94 66.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.396 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -26.34 56.22 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.292 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 46.5 mtt -70.73 -59.91 2.55 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.724 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.01 -41.86 97.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.78 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -63.33 -38.52 91.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.715 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 8.2 m -66.15 -43.88 85.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.31 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.84 -42.84 96.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.396 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.66 -40.01 98.62 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -68.62 -39.84 80.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 111.15 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.95 142.01 58.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.735 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -137.17 136.17 37.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.498 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -100.18 127.66 46.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.581 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 46.8 pt -137.31 147.96 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.638 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -127.78 100.25 5.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.564 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.531 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -59.96 -48.91 79.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.633 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 59.6 mp0 -75.67 159.23 81.86 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . 0.601 ' HD2' HD11 ' C' ' 10' ' ' ILE . 52.3 Cg_exo -51.71 -37.0 63.77 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.555 2.17 . . . . 0.0 112.055 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.9 -71.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.442 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -161.18 160.7 30.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.096 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.73 -42.52 94.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.875 0.369 . . . . 0.0 110.762 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 63.4 mt -67.73 -35.37 78.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 46.7 t -70.74 -43.67 68.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.1 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.601 HD11 ' HD2' ' C' ' 4' ' ' PRO . 85.5 mt -65.5 -45.13 93.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 93.9 m -60.89 -51.2 70.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.574 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.7 m -59.45 -38.48 80.85 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.458 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -59.4 -50.25 74.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 94.7 mt -67.13 -42.02 87.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.033 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.05 -25.86 68.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.587 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 59.6 p -81.57 -42.04 20.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.731 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.75 80.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.139 0.495 . . . . 0.0 110.152 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.46 -41.45 80.17 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.284 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -52.3 -45.29 65.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.374 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -26.23 56.43 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.265 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 46.3 mtt -70.78 -60.04 2.47 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.686 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.89 97.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.821 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -63.12 -38.76 92.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.712 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 8.1 m -66.05 -44.09 85.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.288 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.58 -43.0 96.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.414 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.45 -40.31 98.91 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 56.5 t60 -68.23 -40.09 82.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 111.148 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.62 142.16 58.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.717 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -137.35 136.23 37.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.468 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -100.39 127.62 46.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.582 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 46.8 pt -137.34 147.58 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.576 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -127.39 100.35 6.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.514 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.507 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.9 -48.94 79.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.653 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -75.61 159.3 81.83 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . 0.62 ' HD2' HD11 ' D' ' 10' ' ' ILE . 52.5 Cg_exo -51.92 -36.87 65.62 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.64 2.227 . . . . 0.0 111.985 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.04 -71.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.344 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -161.23 160.69 30.27 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.69 -42.37 94.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.785 0.326 . . . . 0.0 110.748 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 63.9 mt -68.02 -34.87 77.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 46.9 t -71.28 -43.42 67.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.141 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.62 HD11 ' HD2' ' D' ' 4' ' ' PRO . 85.0 mt -65.7 -45.05 93.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 92.0 m -60.96 -51.23 70.14 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.496 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 74.4 m -59.65 -38.09 80.47 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.5 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -59.74 -50.0 75.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.984 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 94.2 mt -67.44 -41.64 86.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.862 0.363 . . . . 0.0 111.035 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 45.2 mt -64.44 -25.43 68.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.666 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 63.7 p -82.17 -41.61 20.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.643 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.43 81.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.126 0.489 . . . . 0.0 110.193 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -68.77 -41.48 78.76 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.228 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -52.35 -44.92 65.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.457 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.41 -25.98 55.06 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.263 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 46.0 mtt -70.97 -60.04 2.45 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.683 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.79 97.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -63.18 -38.36 90.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.757 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 7.8 m -66.44 -43.71 84.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.273 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.02 -42.97 96.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.415 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.48 -39.91 98.42 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -68.67 -39.63 80.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 111.063 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.07 141.98 57.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -137.22 136.08 37.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.504 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -100.17 127.69 46.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.536 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 pt -137.5 146.56 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.699 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt -125.9 100.27 6.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.77 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.513 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -99.24 119.74 38.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.514 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -74.7 157.93 85.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.591 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -50.62 -42.52 49.59 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.549 2.166 . . . . 0.0 112.079 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -157.45 -58.4 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.486 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -172.52 170.02 4.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.475 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.8 mp -59.08 -39.35 78.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.542 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.85 -32.57 73.83 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.42 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.5 m -74.59 -38.84 62.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.083 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.7 -46.76 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.728 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.0 m -62.04 -51.21 68.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.97 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.5 t -55.4 -40.23 71.16 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.355 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.7 -47.83 84.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.37 -43.18 97.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 121.094 0.473 . . . . 0.0 110.583 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.1 mt -62.88 -28.23 69.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.418 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.9 m -73.59 -45.7 51.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.859 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.72 -51.86 67.81 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.134 0.492 . . . . 0.0 110.207 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.3 -39.61 89.45 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.057 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -49.6 -53.14 25.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.818 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -22.25 58.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.247 0.342 . . . . 0.0 111.002 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.7 mtp -70.92 -61.81 1.62 Allowed 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.425 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.23 -40.91 94.69 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.042 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 71.3 t90 -61.9 -42.89 99.61 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.669 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.6 m -63.73 -43.82 95.36 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.25 -45.77 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.356 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.09 -43.5 98.23 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.79 -43.21 76.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.828 0.347 . . . . 0.0 110.353 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.5 tp -85.24 138.77 32.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.635 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.37 118.15 21.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.339 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -114.25 121.09 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.442 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.4 mt -119.28 122.49 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.39 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -104.84 119.86 40.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.469 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.1 ptt-85 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.602 -179.923 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -99.19 119.51 37.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.816 0.341 . . . . 0.0 110.488 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -74.45 157.77 85.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.588 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -50.41 -42.58 47.87 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.507 2.138 . . . . 0.0 112.208 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -157.36 -58.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.546 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -172.35 169.99 5.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.395 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.4 ' H ' HD12 ' B' ' 7' ' ' ILE . 2.8 mp -59.09 -39.3 78.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.549 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.77 -32.49 73.65 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.465 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 64.4 m -74.81 -38.76 62.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.147 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.71 -46.78 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.698 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.93 -51.13 69.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.1 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.8 t -55.63 -40.0 71.59 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.392 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.87 -47.74 84.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.603 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.3 -43.29 97.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.14 0.495 . . . . 0.0 110.658 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 63.4 mt -62.91 -28.05 69.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.281 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 73.0 m -73.67 -45.64 51.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.94 -51.89 67.78 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.176 0.512 . . . . 0.0 110.256 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.18 -39.66 89.9 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.023 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -49.51 -53.1 25.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.896 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -22.09 58.78 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 123.37 0.419 . . . . 0.0 111.052 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 3.7 mtp -71.04 -62.02 1.55 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.344 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.95 95.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.072 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 70.9 t90 -61.96 -42.82 99.55 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.731 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m -64.01 -43.43 95.64 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.928 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.49 -45.83 97.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.317 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.09 -43.29 98.43 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -43.05 77.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.375 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 50.7 tp -85.38 138.54 32.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.705 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -79.13 118.03 20.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.368 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -114.07 121.31 43.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.38 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 75.7 mt -119.6 122.43 68.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.343 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -104.83 120.0 40.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.507 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 ptt-85 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.626 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -99.19 119.82 38.51 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.595 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -74.71 157.79 85.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.577 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -50.4 -42.66 47.55 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.554 2.169 . . . . 0.0 112.159 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -157.29 -58.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.511 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -172.42 170.12 5.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.421 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.4 HD12 ' H ' ' C' ' 7' ' ' ILE . 2.9 mp -59.2 -39.31 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.569 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.65 -32.62 73.71 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.146 0.498 . . . . 0.0 110.486 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 63.0 m -74.81 -38.68 62.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.122 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 88.4 mt -63.84 -46.57 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.687 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 85.0 m -62.12 -51.16 69.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.04 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 37.9 t -55.54 -40.2 71.56 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.278 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -59.64 -47.91 83.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.611 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.24 -43.24 97.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-O 121.084 0.469 . . . . 0.0 110.585 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 63.3 mt -63.02 -28.01 69.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.282 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 73.4 m -73.64 -45.75 50.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.779 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.76 -52.02 67.15 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.211 0.529 . . . . 0.0 110.2 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 74.2 mt -66.14 -39.62 89.97 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.069 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -49.57 -53.21 25.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.742 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.74 -22.27 58.89 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 123.315 0.384 . . . . 0.0 111.086 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 3.6 mtp -70.98 -61.88 1.6 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.36 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.91 94.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.062 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -61.93 -42.97 99.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.651 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 18.4 m -63.81 -43.63 95.67 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.33 -45.96 97.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.397 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.01 -43.43 98.2 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -43.18 76.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.807 0.337 . . . . 0.0 110.361 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 51.5 tp -85.27 138.72 32.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.67 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -79.33 118.25 21.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.864 0.364 . . . . 0.0 110.347 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -114.33 121.18 42.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.358 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 75.9 mt -119.5 122.41 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.342 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -104.77 119.93 40.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.446 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 ptt-85 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.631 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -99.15 119.94 38.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.588 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -74.9 157.98 85.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.585 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.61 -42.61 49.17 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.496 2.131 . . . . 0.0 112.121 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -157.32 -58.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.423 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -172.31 170.06 5.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.426 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 2.9 mp -59.04 -39.31 78.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.551 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.89 -32.52 73.8 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.457 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 63.5 m -74.67 -38.92 62.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.139 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.8 -46.63 93.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 85.8 m -62.02 -51.1 69.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.01 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -55.6 -40.1 71.63 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.411 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.87 -47.75 84.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.29 -43.19 97.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.08 0.467 . . . . 0.0 110.596 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 64.5 mt -63.12 -27.93 69.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -73.91 -45.57 49.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.765 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.85 -51.85 67.88 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.152 0.501 . . . . 0.0 110.167 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.21 -39.73 89.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 110.035 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -49.65 -52.85 27.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.822 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -22.34 58.37 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.339 0.4 . . . . 0.0 111.025 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 3.6 mtp -70.96 -61.45 1.76 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.98 0.419 . . . . 0.0 111.476 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.02 93.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.063 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 70.6 t90 -61.84 -42.74 99.41 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.678 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 18.8 m -63.91 -43.62 95.4 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.978 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.46 -45.75 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.377 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.14 -43.33 98.46 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.94 -43.13 77.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.765 0.317 . . . . 0.0 110.347 179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 52.0 tp -85.23 139.52 31.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.582 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -80.45 118.51 22.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.168 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -114.49 120.82 41.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.42 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 75.9 mt -119.08 122.55 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.348 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt -104.87 119.62 39.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.418 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 . . . . . 0 C--O 1.218 -0.585 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.668 179.922 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 mtt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -99.4 4.62 46.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.807 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -65.5 122.31 79.65 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.318 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -71.47 -33.76 10.44 Favored 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.107 1.871 . . . . 0.0 112.406 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -155.17 -79.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.63 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -148.91 166.65 27.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.484 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.88 -38.77 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.357 0.598 . . . . 0.0 110.473 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.88 -34.95 74.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.2 t -68.23 -44.29 76.05 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.856 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 pt -68.92 -30.96 48.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.217 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -63.13 -52.37 62.79 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.8 t -60.26 -36.55 78.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.492 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -59.24 -50.72 72.93 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.41 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 11.6 mm -66.1 -39.62 84.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.351 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.08 -63.43 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.7 m -47.81 -36.51 11.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.236 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . -59.82 -53.38 58.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.263 0.554 . . . . 0.0 110.79 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -70.42 -20.39 62.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.707 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -68.98 -45.31 70.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.119 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.37 -23.11 47.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.74 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.73 -60.43 2.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.194 0.521 . . . . 0.0 111.026 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.36 95.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.989 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -62.26 -37.09 84.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.569 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -65.88 -43.63 87.74 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.004 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.02 -43.84 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.42 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.5 -41.09 99.81 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -60.12 -42.55 94.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.0 mt -73.01 141.37 47.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.58 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -98.17 141.99 30.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.639 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -106.89 127.71 53.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.826 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.4 pt -141.06 153.67 20.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.581 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -111.9 121.52 45.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.37 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.613 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 41.1 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -99.41 4.48 46.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.849 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -65.4 122.29 79.37 Favored Pre-proline 0 CA--C 1.538 0.512 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.337 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -71.54 -33.75 10.3 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 122.086 1.857 . . . . 0.0 112.362 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -155.14 -79.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.626 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -149.16 166.56 28.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.418 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 84.1 mt -58.77 -38.73 74.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.278 0.561 . . . . 0.0 110.5 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.79 -35.19 74.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.0 t -67.9 -44.67 76.41 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.809 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 43.3 pt -68.48 -31.15 50.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.263 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 52.9 t -63.03 -52.28 63.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.0 t -60.29 -36.76 78.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.461 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -59.07 -50.92 72.21 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.051 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.416 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 11.6 mm -66.03 -39.49 84.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.367 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 52.5 mt -58.09 -63.62 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 58.0 m -47.39 -36.9 10.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 110.184 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' B' ' 14' ' ' ILE . . . -59.59 -53.56 56.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.219 0.533 . . . . 0.0 110.708 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.5 mt -70.39 -20.15 62.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.714 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -69.24 -45.24 70.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.186 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.26 -23.33 47.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.745 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.53 -60.59 2.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.117 0.484 . . . . 0.0 110.977 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.68 -42.32 95.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.005 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 48.1 t90 -62.25 -37.19 84.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.521 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -65.71 -43.85 87.86 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.964 178.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.86 -43.76 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.449 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.61 -41.2 99.84 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -60.06 -42.7 95.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.828 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -72.89 141.26 47.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.643 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -98.08 141.99 30.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.584 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -106.83 127.77 53.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 44.5 pt -141.09 153.74 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.587 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -112.09 121.66 45.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.326 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.555 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 41.1 mtt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -99.48 4.55 46.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.808 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -65.38 122.26 79.18 Favored Pre-proline 0 CA--C 1.537 0.474 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.328 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -71.44 -33.88 10.32 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.088 1.858 . . . . 0.0 112.406 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -155.05 -79.66 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.62 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -148.86 166.67 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.529 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.83 -38.8 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.333 0.587 . . . . 0.0 110.501 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.77 -35.16 74.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 37.2 t -68.01 -44.46 76.48 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.781 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 pt -68.79 -31.01 49.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.174 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 53.1 t -63.19 -52.36 62.64 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 47.0 t -60.21 -36.64 78.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -59.1 -50.88 72.37 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . 0.408 ' O ' ' HB3' ' C' ' 17' ' ' ALA . 11.5 mm -66.05 -39.62 85.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.388 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 52.6 mt -58.06 -63.47 1.25 Allowed 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 57.8 m -47.67 -36.62 11.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.744 0.307 . . . . 0.0 110.186 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' C' ' 14' ' ' ILE . . . -59.77 -53.4 58.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.257 0.551 . . . . 0.0 110.781 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.7 mt -70.38 -20.45 62.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.708 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -68.95 -45.38 70.88 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.111 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.3 -23.17 47.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.763 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 19.3 mmt -70.52 -60.46 2.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.138 0.494 . . . . 0.0 111.062 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.78 -42.31 95.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.949 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -62.24 -37.25 84.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -65.7 -43.82 88.02 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.954 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.83 -43.82 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.502 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.53 -41.21 99.81 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -60.05 -42.66 94.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 0.0 110.855 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 81.6 mt -72.92 141.34 47.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.678 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -98.13 142.05 30.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -106.92 127.69 53.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.822 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 44.4 pt -141.06 153.77 20.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.587 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -112.02 121.54 45.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.332 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 . . . . . 0 C--O 1.219 -0.548 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.598 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 41.2 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -99.39 4.46 46.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.743 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -65.41 122.3 79.44 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.352 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -71.45 -33.87 10.33 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 122.095 1.864 . . . . 0.0 112.342 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -155.12 -79.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.711 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -149.23 166.54 28.57 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.393 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.81 -38.65 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.311 0.577 . . . . 0.0 110.479 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.87 -35.22 74.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 37.1 t -67.91 -44.61 76.53 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.827 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 43.1 pt -68.51 -31.18 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.287 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -63.06 -52.28 63.39 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -60.36 -36.77 78.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.368 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -58.93 -51.07 71.64 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.019 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 11.6 mm -66.01 -39.18 83.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.35 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 50.2 mt -59.59 -60.75 3.35 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.873 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 57.8 m -49.17 -36.58 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.175 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.67 -53.54 56.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.227 0.537 . . . . 0.0 110.727 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 59.3 mt -70.28 -20.23 63.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.729 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -69.22 -45.28 70.22 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.123 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.2 -23.48 47.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.726 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.39 -60.59 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.202 0.525 . . . . 0.0 111.042 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.21 95.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.078 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 47.9 t90 -62.3 -37.24 84.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.583 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 4.0 m -65.73 -43.78 88.0 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.984 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.97 -43.55 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.48 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.74 -41.19 99.88 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -60.03 -42.69 94.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.751 0.31 . . . . 0.0 110.845 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt -72.92 141.3 47.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.625 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -98.08 142.08 30.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.549 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -106.91 127.85 53.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 44.5 pt -141.2 153.43 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.647 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -111.79 121.64 45.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.337 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.516 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.7 mtp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -62.97 -42.11 99.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.715 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -73.39 153.38 90.05 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.784 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.72 -39.87 0.62 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.583 2.189 . . . . 0.0 112.085 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.98 -75.98 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.525 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -147.5 163.08 37.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.613 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.4 pt -59.09 -32.49 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.101 0.477 . . . . 0.0 110.543 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.0 mt -72.42 -32.32 66.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.895 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -71.91 -42.27 66.93 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.307 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.5 pt -71.05 -35.25 58.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.636 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.6 m -64.52 -52.43 57.79 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.536 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.4 p -62.45 -32.51 73.4 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.171 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -59.98 -50.34 74.14 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 mm -67.04 -44.48 88.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.982 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.23 -27.16 69.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.486 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -75.06 -44.88 45.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.562 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.52 -46.82 87.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.406 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.53 -23.47 58.81 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.498 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -66.34 -50.1 64.73 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.111 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -23.6 56.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.44 -60.23 2.39 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.349 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.82 93.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.232 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -63.08 -40.97 99.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.631 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 m -65.53 -43.1 91.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.092 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.3 -44.04 97.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.518 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.47 -41.97 99.74 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -61.05 -42.0 97.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.659 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.67 118.18 18.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.706 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -120.36 125.28 47.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.468 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -122.9 130.49 52.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.427 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.0 pt -133.59 153.09 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -102.53 128.67 49.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.469 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.559 -179.763 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 77.0 mtp . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -63.09 -42.08 99.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.744 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -73.4 153.53 90.03 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.78 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -76.85 -39.78 0.6 Allowed 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 122.601 2.201 . . . . 0.0 112.146 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.97 -76.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.49 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -147.27 163.13 37.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.603 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 pt -59.17 -32.35 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.071 0.462 . . . . 0.0 110.593 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 39.2 mt -72.64 -32.11 65.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.848 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -72.08 -41.95 66.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.417 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 pt -71.3 -35.21 56.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.591 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 65.7 m -64.51 -52.56 57.21 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.44 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 91.1 p -62.51 -32.35 73.26 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.177 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -60.06 -50.23 74.54 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.887 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 10.7 mm -67.14 -44.58 87.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.901 0.381 . . . . 0.0 110.962 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.19 -27.03 69.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.565 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 47.3 t -75.08 -44.7 45.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.567 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.76 88.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.496 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 44.1 mt -74.54 -23.56 58.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.466 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -66.13 -50.15 65.0 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.24 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.77 -23.31 55.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.67 -60.42 2.27 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.286 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.12 -40.96 95.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.359 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -63.19 -40.85 98.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.598 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 17.4 m -65.8 -42.89 90.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.044 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.4 -44.18 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.461 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.39 -41.83 99.74 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -61.1 -41.88 97.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.626 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.88 118.16 18.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.745 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -120.29 125.28 47.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.469 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -122.92 130.57 53.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.411 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 42.9 pt -133.75 152.88 35.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.629 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -102.26 128.71 48.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.505 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.589 -179.814 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 76.9 mtp . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.578 -0.526 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -63.15 -42.02 99.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.713 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -73.43 153.32 89.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.748 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.6 -39.89 0.65 Allowed 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.551 2.167 . . . . 0.0 112.122 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.97 -75.95 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.527 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -147.65 162.87 38.26 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.627 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 25.5 pt -58.91 -32.34 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.542 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 38.9 mt -72.51 -32.32 66.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.817 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -72.06 -42.27 66.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.259 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 28.4 pt -70.91 -35.5 60.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.569 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 65.4 m -64.37 -52.17 59.64 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.577 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 91.9 p -62.77 -32.45 73.61 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.178 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -60.0 -50.45 73.67 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.809 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 mm -67.05 -44.26 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.042 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.5 -26.79 68.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.476 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 47.5 t -75.36 -44.76 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.536 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.91 87.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.42 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 44.1 mt -74.5 -23.26 58.82 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.522 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -66.59 -49.81 65.11 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.267 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.93 -23.68 55.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.772 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.36 -60.24 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.317 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.92 93.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.132 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 67.8 t90 -63.16 -40.7 98.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.694 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 17.4 m -65.81 -43.01 89.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.037 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.27 -44.08 97.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.5 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.86 99.74 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -61.2 -41.84 97.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.814 0.34 . . . . 0.0 110.662 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.91 118.18 18.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.748 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -120.3 125.19 47.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.497 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -122.81 130.49 52.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.432 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 43.1 pt -133.6 152.98 35.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.65 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -102.39 128.73 48.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.468 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.53 -179.794 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 76.8 mtp . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -63.01 -42.14 99.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.643 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -73.73 152.31 89.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.883 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.83 -40.88 0.83 Allowed 'Trans proline' 0 N--CA 1.49 1.302 0 C-N-CA 122.717 2.278 . . . . 0.0 112.228 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.78 -75.95 0.17 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.58 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -147.46 162.93 38.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.625 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 25.3 pt -59.04 -32.37 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.101 0.477 . . . . 0.0 110.562 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 38.8 mt -72.53 -32.29 66.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.884 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 35.3 t -71.98 -42.1 66.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.32 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.407 HD13 HG21 ' D' ' 10' ' ' ILE . 28.4 pt -71.07 -35.28 58.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.693 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 65.8 m -64.43 -52.54 57.54 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.527 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 91.9 p -62.46 -32.42 73.29 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.151 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -60.08 -50.32 74.17 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.794 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 10.5 mm -67.07 -44.52 88.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.911 0.386 . . . . 0.0 110.974 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.19 -27.11 69.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.533 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 47.4 t -75.15 -44.69 45.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.587 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.85 87.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.478 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 43.7 mt -74.52 -23.36 58.81 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.55 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -66.39 -50.09 64.65 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.64 -23.63 56.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.48 -60.33 2.33 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.306 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.94 94.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.214 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 67.8 t90 -63.05 -41.04 99.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.584 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 17.5 m -65.41 -43.21 91.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.008 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.2 -44.22 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.416 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.34 -42.04 99.73 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -60.99 -42.01 97.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.847 0.356 . . . . 0.0 110.709 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.71 118.28 18.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.682 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -120.4 125.28 47.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.447 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -122.85 130.49 52.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.41 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 43.0 pt -133.59 153.03 36.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.691 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -102.48 128.68 49.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.421 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.555 -179.825 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtm . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -63.86 -39.03 93.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.592 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 -88.05 152.87 51.33 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -71.02 -45.33 0.94 Allowed 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.46 2.107 . . . . 0.0 112.406 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -140.72 -69.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.454 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.76 164.51 31.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.487 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -51.87 -35.8 18.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.728 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.11 -34.14 77.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -70.91 -40.46 72.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.703 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.73 -48.73 87.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.666 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.0 m -61.93 -50.93 70.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.523 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.1 t -54.4 -43.31 71.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.242 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -58.27 -48.6 79.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.011 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.1 mm -63.25 -44.24 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.008 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.29 -33.48 75.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.746 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.6 m -72.32 -49.22 36.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.047 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.64 95.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.021 0.439 . . . . 0.0 110.437 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.04 -40.64 78.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.073 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.23 -42.85 96.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.033 0.444 . . . . 0.0 111.429 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.99 -32.91 61.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.333 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.12 -53.96 11.18 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.57 -43.98 96.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.556 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.425 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 8.3 m95 -70.95 -29.87 66.0 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 119.664 -0.815 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -63.85 -54.83 28.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.886 0.374 . . . . 0.0 110.617 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.51 -41.51 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.501 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.24 -39.77 98.13 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -66.28 -39.64 89.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.763 0.316 . . . . 0.0 111.089 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp -63.04 143.44 57.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.701 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -86.03 119.28 26.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.438 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -120.27 118.13 29.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.258 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.6 mt -121.36 121.65 65.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.32 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.06 95.42 2.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.98 0.419 . . . . 0.0 110.318 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.574 -179.832 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -63.83 -39.02 93.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.57 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -88.09 152.88 51.24 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.835 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -71.07 -45.33 0.93 Allowed 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.476 2.117 . . . . 0.0 112.419 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -140.68 -69.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.458 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.73 164.56 31.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.565 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -52.03 -35.67 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.797 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.33 -33.81 76.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.637 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 58.7 m -71.17 -40.27 71.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.823 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.92 -48.72 87.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.697 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 92.6 m -61.98 -50.87 70.37 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.527 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 36.9 t -54.48 -42.96 71.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.364 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -58.5 -48.5 80.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 15.3 mm -63.38 -44.15 98.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.046 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.45 -32.96 74.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -72.8 -48.95 33.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.144 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.58 95.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.441 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.01 -40.54 78.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.182 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -60.46 -42.43 96.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.975 0.417 . . . . 0.0 111.46 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.45 -32.49 60.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.431 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.48 -53.79 11.09 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -43.98 96.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.593 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.425 ' CE3' ' HA ' ' B' ' 23' ' ' TRP . 8.0 m95 -71.29 -29.27 64.85 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.4 -54.46 32.38 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.741 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.73 -41.49 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.487 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.33 -39.4 97.7 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -66.59 -39.31 88.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.806 0.336 . . . . 0.0 111.17 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp -63.47 143.57 57.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.666 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -85.98 119.36 26.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.498 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -120.39 117.82 28.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.292 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 79.3 mt -121.04 121.68 65.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.35 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.97 95.45 1.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.602 -179.804 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -64.03 -38.99 93.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.449 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 49.0 mp0 -88.1 152.93 51.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.768 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -71.07 -45.4 0.91 Allowed 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.447 2.098 . . . . 0.0 112.446 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -140.67 -69.37 0.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.396 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.83 164.45 31.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.543 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -51.77 -35.77 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.753 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.13 -34.33 78.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.509 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -70.64 -40.73 72.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.663 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.63 -48.66 87.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.667 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 93.5 m -62.02 -50.79 70.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.515 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 37.3 t -54.47 -43.45 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.203 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -58.12 -48.7 79.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.034 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 15.1 mm -63.21 -44.06 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.016 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.42 -33.52 75.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.75 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -72.17 -49.39 36.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.013 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.72 95.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.349 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.01 -40.59 78.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -60.24 -42.91 96.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.014 0.435 . . . . 0.0 111.457 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -32.95 61.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.265 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.14 -53.86 11.45 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.15 96.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.476 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . 0.426 ' CE3' ' HA ' ' C' ' 23' ' ' TRP . 8.1 m95 -70.93 -30.01 66.2 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 119.657 -0.817 . . . . 0.0 111.029 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -63.69 -54.87 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.684 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 74.2 mt -61.55 -41.34 89.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.489 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.31 -39.88 98.3 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -66.04 -39.84 90.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 111.179 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.97 143.39 57.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.683 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -85.91 119.2 25.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.573 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -120.22 118.1 29.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.217 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 79.4 mt -121.37 121.71 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.382 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.07 95.41 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.297 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.621 -179.82 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtm . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -63.82 -39.12 93.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.478 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 49.0 mp0 -88.07 152.89 51.29 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.816 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.0 -45.37 0.93 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.406 2.071 . . . . 0.0 112.455 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -140.6 -69.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.499 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -160.73 164.52 31.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.481 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pp -51.75 -36.15 18.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.715 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.93 -34.33 78.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.498 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -70.57 -40.49 73.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.807 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.75 -48.68 87.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.706 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.02 -50.99 69.85 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.444 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t -54.32 -43.34 71.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.208 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -58.19 -48.5 80.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 15.0 mm -63.26 -44.35 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.934 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.15 -33.75 76.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.733 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -71.98 -49.27 38.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.074 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.68 95.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.36 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -68.97 -40.79 78.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.051 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -60.02 -43.09 95.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.04 0.448 . . . . 0.0 111.388 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.88 -32.69 61.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.346 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 39.4 mtt -72.18 -53.87 11.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.14 96.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.436 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . 0.418 ' HA ' ' CE3' ' D' ' 23' ' ' TRP . 8.2 m95 -70.9 -29.93 66.14 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 119.654 -0.818 . . . . 0.0 111.115 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -63.7 -54.89 28.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.937 0.399 . . . . 0.0 110.68 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.37 -41.54 90.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.513 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.21 -40.1 98.54 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -65.79 -39.89 91.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 111.092 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.89 143.5 57.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.622 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -86.03 119.23 26.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.529 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -120.1 119.43 33.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.047 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 80.3 mt -122.43 121.54 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.22 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.97 95.36 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.922 0.391 . . . . 0.0 110.342 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.565 -179.775 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 mtp . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -84.93 -27.03 26.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.464 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.2 153.06 79.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -71.89 -43.79 1.14 Allowed 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.69 2.26 . . . . 0.0 112.103 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -143.09 -85.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.371 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -152.28 160.75 43.29 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.865 0.364 . . . . 0.0 110.349 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 7' ' ' ILE . 19.0 pt -58.75 -34.86 53.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.407 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.2 -34.03 68.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.673 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.1 t -70.4 -43.63 69.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.726 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 83.3 mt -63.64 -46.8 93.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.712 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 t -58.97 -51.08 71.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.898 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.0 p -61.11 -39.12 88.77 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.579 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -56.91 -56.0 27.25 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.168 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.25 -40.12 87.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.327 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -64.19 -28.26 69.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.631 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.7 m -73.9 -45.17 52.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.625 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.68 -51.41 70.08 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.261 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.53 -25.53 64.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.819 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -63.22 -52.3 62.77 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.227 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.482 ' O ' HG23 ' A' ' 24' ' ' THR . 0.2 OUTLIER -73.15 -21.93 60.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.511 179.474 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -57.49 5.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.993 0.425 . . . . 0.0 111.063 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.9 -39.72 93.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.016 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -62.03 -41.51 98.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.557 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 20' ' ' PHE . 17.3 p -67.67 -37.73 82.77 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.701 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.66 -45.2 99.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.603 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.16 -42.1 99.52 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -60.42 -42.48 96.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 0.0 110.666 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.7 mt -86.48 135.59 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.656 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -84.35 115.49 22.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.736 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -92.93 142.74 26.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.396 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.5 pt -130.71 155.34 41.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.708 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 100.92 12.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.522 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.565 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.3 mtp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -85.22 -26.86 26.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.399 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.34 153.09 79.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.82 -44.0 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.681 2.254 . . . . 0.0 112.063 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -142.94 -85.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.408 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -152.1 161.02 43.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.961 0.41 . . . . 0.0 110.313 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.3 pt -59.0 -34.92 54.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.27 -33.8 67.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.707 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 42.8 t -70.58 -43.45 69.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.779 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.61 -46.81 93.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.799 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.13 -51.02 71.82 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.932 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 80.9 p -61.14 -38.81 87.72 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.655 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -57.18 -55.84 29.59 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.258 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.31 -40.17 88.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.863 0.363 . . . . 0.0 110.451 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.2 mt -64.19 -28.23 69.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.608 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.5 m -74.0 -44.97 52.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.647 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.77 -51.29 70.61 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.299 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.75 -25.49 63.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.888 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -63.17 -52.29 62.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.184 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.495 ' O ' HG23 ' B' ' 24' ' ' THR . 0.2 OUTLIER -73.19 -21.76 60.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.485 179.447 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -57.67 4.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.058 0.456 . . . . 0.0 111.034 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.54 93.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -62.11 -41.32 98.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.625 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.495 HG23 ' O ' ' B' ' 20' ' ' PHE . 17.5 p -67.84 -37.7 82.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.764 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 81.9 mt -62.55 -45.32 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.624 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.09 99.62 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -60.28 -42.35 95.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.756 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 87.8 mt -86.61 135.84 33.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.686 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -84.75 114.8 22.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.733 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -92.21 143.03 26.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.385 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 44.5 pt -130.9 155.57 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.716 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.25 100.93 13.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.528 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.538 -179.894 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 37.4 mtp . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -85.09 -27.04 26.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.457 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.22 153.1 79.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.78 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -71.78 -44.06 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.703 2.268 . . . . 0.0 112.129 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -142.88 -85.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.337 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -152.05 161.05 43.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.944 0.402 . . . . 0.0 110.301 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.404 HG21 HD13 ' C' ' 7' ' ' ILE . 19.3 pt -59.03 -34.97 54.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.322 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 90.2 mt -72.11 -33.98 68.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.625 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 42.3 t -70.48 -43.57 69.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.682 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.53 -46.83 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.784 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 24.0 t -59.01 -51.2 71.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.93 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -60.85 -39.25 88.4 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.636 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -56.78 -56.09 26.02 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.225 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.19 -40.21 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.367 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.99 -28.52 69.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.58 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 67.8 m -73.8 -45.18 53.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.563 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.43 -51.46 69.73 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.269 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.47 -26.0 64.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -62.98 -52.31 63.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.033 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.493 ' O ' HG23 ' C' ' 24' ' ' THR . 0.2 OUTLIER -73.04 -21.94 60.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.531 179.549 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -57.65 5.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.001 0.429 . . . . 0.0 111.021 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.57 93.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.122 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -61.99 -41.65 98.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.584 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . 0.493 HG23 ' O ' ' C' ' 20' ' ' PHE . 17.7 p -67.44 -37.84 83.62 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.77 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -62.47 -45.32 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.574 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.04 -42.36 99.64 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -60.18 -42.59 95.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.769 0.319 . . . . 0.0 110.649 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 87.9 mt -86.33 135.57 33.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.688 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -84.56 115.43 22.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.65 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -92.74 142.83 26.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.348 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 44.4 pt -130.78 155.35 41.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.747 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 100.88 12.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.427 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.583 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 37.3 mtp . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -84.94 -27.06 26.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.25 153.19 79.43 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.733 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -71.92 -43.86 1.1 Allowed 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.703 2.268 . . . . 0.0 112.114 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -143.06 -85.28 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.366 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -152.03 161.03 43.27 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.371 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 pt -59.0 -34.98 54.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.33 -33.72 67.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.629 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 41.2 t -70.6 -43.43 69.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.814 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.78 -46.74 93.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.805 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 24.1 t -59.03 -51.12 71.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.955 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -61.12 -38.84 87.78 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.667 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -57.2 -55.73 30.95 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.303 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 tp -64.42 -40.25 88.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.412 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.01 -28.16 69.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.662 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -74.11 -44.91 52.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.654 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.72 -51.62 69.2 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.218 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.25 -25.78 64.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.934 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -63.05 -52.29 63.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.182 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.49 ' O ' HG23 ' D' ' 24' ' ' THR . 0.2 OUTLIER -73.19 -21.7 60.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.462 179.507 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -69.41 -57.64 5.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.07 0.462 . . . . 0.0 111.064 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.91 -39.56 93.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.046 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -62.1 -41.33 98.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.652 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . 0.49 HG23 ' O ' ' D' ' 20' ' ' PHE . 17.5 p -67.88 -37.62 82.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.71 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 81.7 mt -62.59 -45.35 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.624 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.03 -42.18 99.69 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -60.46 -42.16 95.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.765 0.317 . . . . 0.0 110.796 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt -86.78 135.42 33.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 110.688 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -84.13 118.0 23.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.269 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -95.52 142.53 27.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.046 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 44.4 pt -130.6 154.27 40.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.852 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.32 100.93 12.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.469 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.631 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tpt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -159.99 27.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.537 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -75.04 148.46 84.4 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.536 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.545 ' CG ' HD11 ' A' ' 10' ' ' ILE . 60.6 Cg_endo -74.37 -38.44 1.98 Allowed 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.335 2.024 . . . . 0.0 112.491 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.73 -84.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.251 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -148.71 161.43 41.78 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.854 0.359 . . . . 0.0 110.366 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.4 mm -64.07 -42.62 96.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.476 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.23 -35.29 76.0 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.744 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.7 p -69.52 -42.27 74.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.356 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.545 HD11 ' CG ' ' A' ' 4' ' ' PRO . 4.1 mm -65.19 -41.68 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.632 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.405 ' O ' HG22 ' A' ' 14' ' ' ILE . 95.9 m -59.39 -50.13 75.15 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.766 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 15' ' ' LEU . 47.8 t -59.8 -40.3 87.88 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.76 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -60.45 -51.61 68.75 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.082 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.405 HG22 ' O ' ' A' ' 11' ' ' CYS . 18.6 tt -66.01 -31.56 54.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.251 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 12' ' ' SER . 19.5 mt -62.11 -63.47 1.24 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 88.4 p -52.3 -36.87 54.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.887 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.34 -47.35 86.31 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.174 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.09 -36.21 83.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.652 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -37.55 85.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.436 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.86 -36.17 62.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.907 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 59.1 mtt -72.05 -52.66 15.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.911 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.66 -42.43 98.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.118 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.6 m95 -74.01 -27.54 61.01 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.566 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.83 -55.79 17.4 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.647 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.05 -43.21 92.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.36 -36.51 92.6 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -72.83 -36.2 67.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.913 0.387 . . . . 0.0 111.149 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.49 132.89 53.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -129.13 137.45 51.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.046 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -138.93 142.11 38.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.216 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.9 pt -141.17 150.56 20.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.417 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -78.3 145.55 35.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.441 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.598 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tpt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -160.02 27.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.575 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -74.98 148.5 84.59 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.485 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.544 ' CG ' HD11 ' B' ' 10' ' ' ILE . 61.1 Cg_endo -74.31 -38.47 2.0 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.375 2.05 . . . . 0.0 112.599 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.71 -84.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.341 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -148.68 161.52 41.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.781 0.324 . . . . 0.0 110.385 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 21.1 mm -64.17 -42.76 96.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.365 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.1 -35.44 76.47 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.736 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 88.4 p -69.34 -42.44 75.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.245 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.544 HD11 ' CG ' ' B' ' 4' ' ' PRO . 4.2 mm -65.04 -41.64 92.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.679 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . 0.409 ' O ' HG22 ' B' ' 14' ' ' ILE . 96.7 m -59.48 -50.14 75.07 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.379 -0.529 . . . . 0.0 109.762 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . 0.423 ' HA ' HD12 ' B' ' 15' ' ' LEU . 47.7 t -59.75 -40.3 87.67 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.727 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -60.37 -51.74 68.2 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.09 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.409 HG22 ' O ' ' B' ' 11' ' ' CYS . 18.6 tt -65.83 -31.6 54.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.335 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' B' ' 12' ' ' SER . 19.6 mt -61.99 -63.95 1.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 88.8 p -51.73 -37.11 49.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.902 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.41 86.24 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.17 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.01 -36.25 83.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -37.74 85.59 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.405 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.56 -36.39 63.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.801 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 59.1 mtt -71.93 -52.52 16.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.909 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.78 99.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.038 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -73.76 -27.8 61.35 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.634 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.58 -56.11 16.08 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.871 0.367 . . . . 0.0 110.468 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.84 -43.23 93.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.25 -36.78 92.94 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -72.45 -36.63 68.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.945 0.402 . . . . 0.0 111.109 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.13 132.89 54.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.875 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -129.09 137.5 51.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.087 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -138.99 142.09 38.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.23 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 48.1 pt -141.14 150.42 20.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.536 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -78.18 145.55 35.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.526 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.602 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tpt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -159.97 27.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.512 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -75.04 148.41 84.36 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.577 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . 0.546 ' CG ' HD11 ' C' ' 10' ' ' ILE . 61.1 Cg_endo -74.13 -38.6 2.05 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.386 2.058 . . . . 0.0 112.627 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -148.66 -84.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.328 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -148.63 161.56 41.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.777 0.322 . . . . 0.0 110.405 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 mm -64.17 -42.76 96.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.345 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.16 -35.4 76.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.733 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 88.6 p -69.3 -42.4 75.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.328 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.546 HD11 ' CG ' ' C' ' 4' ' ' PRO . 4.1 mm -65.17 -41.56 92.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . 0.401 ' O ' HG22 ' C' ' 14' ' ' ILE . 96.5 m -59.46 -50.12 75.15 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.388 -0.525 . . . . 0.0 109.809 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.429 ' HA ' HD12 ' C' ' 15' ' ' LEU . 47.7 t -59.8 -40.27 87.75 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.714 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -60.4 -51.76 68.11 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.06 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . 0.401 HG22 ' O ' ' C' ' 11' ' ' CYS . 18.7 tt -65.81 -31.54 54.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.328 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' C' ' 12' ' ' SER . 19.5 mt -62.1 -63.66 1.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 88.5 p -52.14 -36.89 52.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.37 86.44 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.23 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.04 -36.44 84.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.658 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.44 -37.69 85.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.419 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.57 -36.39 63.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.984 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 59.2 mtt -71.95 -52.42 17.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.944 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.63 99.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.088 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 24.0 m95 -73.8 -27.69 61.26 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 119.969 -0.692 . . . . 0.0 110.536 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.66 -56.06 16.19 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.568 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.75 -43.35 93.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.16 -36.79 92.91 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -72.43 -36.62 68.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.928 0.394 . . . . 0.0 111.099 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.2 132.86 54.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.822 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -129.12 137.45 51.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.067 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -138.86 142.17 38.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.256 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 47.9 pt -141.19 150.54 20.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.459 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -78.27 145.52 35.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.43 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.641 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tpt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -160.0 27.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.598 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -75.18 148.07 83.66 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.592 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . 0.555 ' HG3' HD11 ' D' ' 10' ' ' ILE . 60.9 Cg_endo -73.58 -38.9 2.21 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 122.467 2.111 . . . . 0.0 112.545 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -148.59 -84.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.337 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -148.52 161.51 41.51 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.841 0.353 . . . . 0.0 110.378 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 mm -64.2 -42.62 96.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.387 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.23 -35.32 76.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.751 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 88.5 p -69.42 -42.41 75.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.29 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.555 HD11 ' HG3' ' D' ' 4' ' ' PRO . 4.2 mm -65.08 -41.66 92.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' CYS . . . . . 0.406 ' O ' HG22 ' D' ' 14' ' ' ILE . 95.8 m -59.44 -50.14 75.07 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.421 -0.512 . . . . 0.0 109.761 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . 0.433 ' HA ' HD12 ' D' ' 15' ' ' LEU . 47.8 t -59.86 -40.21 87.85 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.775 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.38 -51.65 68.58 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.093 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . 0.406 HG22 ' O ' ' D' ' 11' ' ' CYS . 18.7 tt -66.12 -31.16 52.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.287 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' D' ' 12' ' ' SER . 18.8 mt -63.4 -60.88 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.458 -0.497 . . . . 0.0 109.877 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 88.0 p -54.01 -36.65 63.21 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.745 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.28 -47.38 86.27 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.139 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 95.6 mt -65.06 -36.3 83.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.719 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -37.55 85.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.388 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -36.18 62.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.879 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 59.3 mtt -72.13 -52.61 15.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.869 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.66 99.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.088 -178.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -73.85 -27.58 61.16 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.024 -0.67 . . . . 0.0 110.516 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -64.84 -55.9 16.75 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.606 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.04 -43.2 92.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.37 -36.45 92.52 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -72.81 -36.29 67.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.867 0.365 . . . . 0.0 111.076 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.4 132.92 54.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.78 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -129.07 137.46 51.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.114 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -138.97 142.03 38.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.242 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 48.0 pt -141.1 150.59 20.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.477 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -78.32 145.6 35.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.449 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.647 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttm . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -93.06 -35.71 13.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.689 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -77.11 159.07 79.01 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.66 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.561 ' HD2' HD11 ' A' ' 10' ' ' ILE . 44.7 Cg_exo -54.76 -39.71 88.22 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.774 2.316 . . . . 0.0 112.11 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.47 -71.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.474 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -151.32 160.0 44.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.516 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.91 -33.51 49.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.547 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.67 -68.26 0.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.46 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.1 p -47.69 -32.37 5.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.172 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.561 HD11 ' HD2' ' A' ' 4' ' ' PRO . 71.0 mt -70.12 -46.88 70.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 121.11 0.481 . . . . 0.0 111.015 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 94.1 m -60.78 -48.15 83.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.18 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.8 m -64.52 -30.42 71.45 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.462 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.21 -49.71 76.06 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 120.954 0.407 . . . . 0.0 110.563 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 87.3 mt -66.53 -41.52 88.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.853 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 mt -61.05 -64.23 1.02 Allowed 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.189 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.6 t -44.19 -38.81 3.96 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . -57.87 -58.07 9.98 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.311 0.577 . . . . 0.0 110.624 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.22 -19.17 65.85 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.909 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -69.66 -47.96 61.48 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.36 -22.92 57.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.267 0.354 . . . . 0.0 110.777 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 34.4 mmt -71.21 -60.73 2.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.074 0.464 . . . . 0.0 111.29 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.3 90.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.918 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -62.21 -40.85 97.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.452 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.7 m -64.66 -41.87 95.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.794 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 86.3 mt -60.7 -45.25 97.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.535 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.51 -43.34 99.16 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -56.84 -44.54 82.21 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.638 0.256 . . . . 0.0 110.376 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.84 132.34 44.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.722 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -80.31 140.4 36.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.8 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -94.6 119.15 32.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.456 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.1 mt -116.35 127.55 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.44 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -99.04 110.97 23.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.626 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.504 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.5 ttm . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -92.94 -35.49 13.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.706 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -77.21 158.96 78.95 Favored Pre-proline 0 N--CA 1.452 -0.373 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.575 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.558 ' HD2' HD11 ' B' ' 10' ' ' ILE . 45.7 Cg_exo -54.71 -39.53 88.84 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.705 2.27 . . . . 0.0 112.151 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.72 -71.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.529 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -151.2 159.76 44.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.61 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 91.0 mt -58.72 -33.65 49.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.469 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.37 -68.92 0.3 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.345 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 90.4 p -47.24 -32.36 4.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.202 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.558 HD11 ' HD2' ' B' ' 4' ' ' PRO . 71.8 mt -70.21 -46.87 70.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.96 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 94.5 m -60.81 -48.24 82.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.107 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.0 m -64.32 -30.52 71.56 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.407 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -61.04 -49.79 75.95 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.033 0.444 . . . . 0.0 110.624 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . 0.422 ' O ' ' HB3' ' B' ' 17' ' ' ALA . 87.6 mt -66.49 -41.73 89.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.828 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.84 -64.43 0.96 Allowed 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.209 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 39.3 t -44.05 -38.76 3.74 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' B' ' 14' ' ' ILE . . . -58.0 -57.86 10.95 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.21 0.529 . . . . 0.0 110.56 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.53 -19.11 65.79 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.793 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -69.7 -47.9 61.51 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.21 -22.99 57.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.745 0.307 . . . . 0.0 110.925 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 34.4 mmt -71.46 -60.75 2.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.025 0.44 . . . . 0.0 111.249 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.34 91.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.971 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -62.21 -41.06 98.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.527 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 17.8 m -64.62 -41.87 95.89 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.708 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.53 -45.35 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.528 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.34 -43.66 98.76 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -56.66 -44.54 81.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.633 0.254 . . . . 0.0 110.32 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.77 132.59 44.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.79 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -80.68 140.12 35.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -94.28 119.08 32.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.573 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 76.3 mt -116.29 127.54 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.47 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -99.06 111.21 23.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.598 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.631 -179.897 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 37.7 ttm . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -92.9 -35.72 13.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.702 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -76.92 159.09 79.42 Favored Pre-proline 0 N--CA 1.452 -0.373 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.668 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . 0.54 ' HD2' HD11 ' C' ' 10' ' ' ILE . 44.2 Cg_exo -54.98 -39.33 91.34 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.766 2.311 . . . . 0.0 112.12 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.9 -71.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.534 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -150.98 159.92 44.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 92.2 mt -58.93 -33.31 49.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.064 0.459 . . . . 0.0 110.644 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.74 -68.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.429 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 89.6 p -47.52 -32.35 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.142 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.54 HD11 ' HD2' ' C' ' 4' ' ' PRO . 71.5 mt -70.27 -46.8 70.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.016 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 88.4 m -60.92 -48.25 82.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.132 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 64.1 m -64.25 -30.6 71.65 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.408 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -60.95 -49.82 75.92 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.016 0.436 . . . . 0.0 110.596 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . 0.426 ' O ' ' HB3' ' C' ' 17' ' ' ALA . 88.2 mt -66.45 -41.82 89.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.824 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.82 -64.22 1.03 Allowed 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.189 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 39.4 t -44.23 -38.8 4.02 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' C' ' 14' ' ' ILE . . . -57.87 -57.78 11.28 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.233 0.54 . . . . 0.0 110.596 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.64 -19.15 65.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.838 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -69.63 -47.92 61.77 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.27 -23.09 57.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 34.3 mmt -71.15 -60.61 2.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.047 0.451 . . . . 0.0 111.44 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.13 90.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.941 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -62.15 -41.12 97.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.469 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 17.7 m -64.53 -41.93 96.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.67 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.47 -45.49 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.579 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.34 -43.85 98.49 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -56.21 -44.78 79.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.736 0.303 . . . . 0.0 110.363 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.73 132.49 44.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.794 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -80.43 140.44 35.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.73 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -94.61 118.8 32.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.501 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 76.8 mt -116.15 127.34 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.46 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -98.81 111.32 23.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.607 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 37.7 ttm . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -93.09 -35.89 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.691 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -76.87 159.13 79.46 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.631 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . 0.551 ' HD2' HD11 ' D' ' 10' ' ' ILE . 44.2 Cg_exo -54.88 -39.89 88.03 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.74 2.293 . . . . 0.0 112.093 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -167.29 -71.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.495 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -151.37 160.02 43.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.511 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 90.7 mt -59.02 -32.74 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.435 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.24 -63.98 0.96 Allowed 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.555 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 90.3 p -50.14 -32.18 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.551 HD11 ' HD2' ' D' ' 4' ' ' PRO . 71.4 mt -70.29 -47.11 68.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.002 179.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 88.3 m -60.74 -47.74 84.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.23 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 61.4 m -64.79 -30.58 71.6 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.461 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -61.02 -49.72 76.29 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 120.956 0.408 . . . . 0.0 110.619 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . 0.409 ' O ' ' HB3' ' D' ' 17' ' ' ALA . 88.2 mt -66.53 -41.37 88.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.746 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 mt -62.38 -61.27 2.56 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.256 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 40.5 t -46.22 -38.47 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' D' ' 14' ' ' ILE . . . -57.94 -57.55 12.32 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.339 0.59 . . . . 0.0 110.657 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.86 -19.13 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.929 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -69.83 -47.45 62.69 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -22.96 55.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.697 0.284 . . . . 0.0 110.82 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 34.3 mmt -71.19 -60.2 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.018 0.437 . . . . 0.0 111.332 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.57 -40.23 88.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.993 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -62.18 -40.45 96.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.486 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 17.8 m -65.13 -41.68 94.62 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.753 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.91 -45.13 98.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.48 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.56 -43.35 99.13 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -56.97 -44.36 82.54 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.05 132.52 44.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.791 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -80.57 141.12 35.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.666 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -95.64 119.58 34.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.233 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 76.4 mt -116.59 127.22 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.505 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -98.83 109.85 22.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.737 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.627 179.68 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 ptm . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -19.25 22.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.371 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -57.03 146.96 57.78 Favored Pre-proline 0 CA--C 1.532 0.28 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.681 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -75.96 -53.34 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.562 2.175 . . . . 0.0 112.116 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -131.57 -82.55 0.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.413 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -154.05 161.88 41.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.442 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.4 pt -56.31 -32.45 35.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.4 tp -71.45 -34.43 70.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.531 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.7 m -70.97 -42.17 70.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.875 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.77 -45.2 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.802 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 95.9 m -59.56 -50.72 72.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.195 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -60.38 -38.36 83.66 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.56 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -57.36 12.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.183 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 14' ' ' ILE . 23.3 pt -63.89 -40.18 88.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.08 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.0 mt -64.72 -28.4 69.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.108 0.48 . . . . 0.0 110.303 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.6 m -74.07 -44.71 53.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.665 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.1 90.34 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.985 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 tp -73.0 -27.21 61.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.764 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -63.78 -51.5 64.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.47 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -24.19 56.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.561 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 30.1 mtt -70.29 -59.75 2.69 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.193 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.07 -38.76 92.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.918 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -66.29 -41.52 89.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -63.94 -51.15 65.75 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.526 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 26' ' ' GLY . 34.3 pt -58.57 -40.94 80.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.383 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.445 ' N ' HG13 ' A' ' 25' ' ' ILE . . . -64.3 -42.95 97.59 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -59.04 -43.58 91.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.73 0.3 . . . . 0.0 110.641 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.66 140.81 56.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.547 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.403 HD21 HD11 ' A' ' 31' ' ' ILE . 63.7 t30 -100.54 116.7 33.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.598 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -117.97 125.86 51.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.565 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.403 HD11 HD21 ' A' ' 29' ' ' ASN . 87.2 mt -132.33 132.62 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.756 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -79.95 102.18 9.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.459 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.562 -179.896 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.7 ptm . . . . . 0 N--CA 1.494 1.774 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.26 -19.21 20.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.408 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -57.05 147.21 56.73 Favored Pre-proline 0 CA--C 1.533 0.293 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.659 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.24 -53.15 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 122.53 2.153 . . . . 0.0 112.182 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.78 -82.48 0.51 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.408 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -154.24 161.71 41.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.421 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 pt -56.13 -32.47 34.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.339 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 29.0 tp -71.39 -34.62 70.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.532 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 71.9 m -70.84 -42.32 70.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.81 179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.46 -45.38 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.767 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 96.0 m -59.6 -50.61 73.19 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.221 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.1 m -60.43 -38.44 84.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.508 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.34 -57.63 11.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.091 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 23.2 pt -63.62 -40.12 87.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.956 0.408 . . . . 0.0 111.142 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 63.8 mt -64.8 -28.36 69.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.125 0.488 . . . . 0.0 110.284 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 68.9 m -74.05 -44.82 52.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.654 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.2 89.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.939 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 28.2 tp -72.9 -27.22 61.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -63.77 -51.5 64.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.54 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.46 -24.39 56.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.539 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 30.2 mtt -70.22 -59.65 2.75 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.594 -0.443 . . . . 0.0 111.244 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.7 91.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.867 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -66.28 -41.5 89.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.052 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -63.96 -51.25 65.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.448 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . 0.45 HG13 ' N ' ' B' ' 26' ' ' GLY . 34.3 pt -58.47 -40.97 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.439 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . 0.45 ' N ' HG13 ' B' ' 25' ' ' ILE . . . -64.28 -43.1 97.45 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -59.04 -43.68 91.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.731 0.3 . . . . 0.0 110.598 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt -59.53 140.95 55.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.429 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.419 HD21 HD11 ' B' ' 31' ' ' ILE . 63.6 t30 -100.81 116.68 33.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.611 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -117.85 125.8 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.649 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.419 HD11 HD21 ' B' ' 29' ' ' ASN . 87.1 mt -132.33 132.47 60.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.748 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -79.84 102.2 8.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.505 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.576 -179.904 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 7.7 ptm . . . . . 0 N--CA 1.494 1.756 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.4 -19.1 21.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.372 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -57.05 146.97 57.93 Favored Pre-proline 0 CA--C 1.533 0.293 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.742 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -76.03 -53.23 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 122.518 2.145 . . . . 0.0 112.119 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -131.7 -82.53 0.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.457 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -154.01 161.9 41.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.468 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 30.0 pt -56.27 -32.48 35.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 29.2 tp -71.47 -34.43 70.19 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.469 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 71.9 m -70.99 -42.15 70.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.915 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.65 -45.27 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.823 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 96.4 m -59.54 -50.7 72.88 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.241 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.6 m -60.49 -38.18 83.47 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.51 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.5 -57.36 12.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.171 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 22.8 pt -63.89 -40.3 88.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.064 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 63.4 mt -64.61 -28.37 69.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.208 0.527 . . . . 0.0 110.323 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -73.95 -44.79 53.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.696 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.92 91.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.03 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 tp -73.06 -27.18 61.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.741 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -63.78 -51.65 63.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.508 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -24.25 57.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.545 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 30.1 mtt -70.33 -59.68 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.218 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.06 -38.88 92.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -66.12 -41.58 90.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.053 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 16.5 m -63.95 -51.2 65.5 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.446 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . 0.437 HG13 ' N ' ' C' ' 26' ' ' GLY . 34.6 pt -58.51 -41.11 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.375 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . 0.437 ' N ' HG13 ' C' ' 25' ' ' ILE . . . -64.19 -43.09 97.59 Favored Glycine 0 C--N 1.332 0.355 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -58.97 -43.6 91.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.776 0.322 . . . . 0.0 110.668 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 83.3 mt -59.59 140.89 55.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.508 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . 0.42 HD21 HD11 ' C' ' 31' ' ' ILE . 63.6 t30 -100.76 116.73 33.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.62 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -117.82 125.96 51.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.596 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.42 HD11 HD21 ' C' ' 29' ' ' ASN . 87.3 mt -132.48 132.49 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.718 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -79.88 102.31 9.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.442 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.618 -179.937 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.7 ptm . . . . . 0 N--CA 1.495 1.794 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -19.22 21.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.333 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -57.34 146.01 64.79 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.795 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -74.41 -54.13 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.397 0 C-N-CA 122.612 2.208 . . . . 0.0 112.165 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -131.41 -82.47 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.425 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -154.14 161.89 41.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.54 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 30.6 pt -56.3 -32.49 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.312 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 29.1 tp -71.35 -34.62 70.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.443 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 72.5 m -70.86 -42.22 70.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.827 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.7 -45.23 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.737 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 95.6 m -59.52 -50.83 72.39 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.195 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 71.3 m -60.23 -38.45 83.47 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.499 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -57.5 11.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.067 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 22.9 pt -63.77 -40.19 88.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 120.916 0.389 . . . . 0.0 111.063 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 63.3 mt -64.77 -28.38 69.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.131 0.491 . . . . 0.0 110.242 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 68.6 m -73.75 -45.03 54.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.696 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.18 89.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.052 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 28.6 tp -72.87 -27.27 61.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.785 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -63.7 -51.7 63.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.473 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -24.35 57.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.551 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 30.1 mtt -70.15 -59.59 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.516 -0.473 . . . . 0.0 111.202 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.94 92.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.86 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -66.2 -41.58 89.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 16.4 m -63.8 -51.36 65.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.457 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . 0.454 HG13 ' N ' ' D' ' 26' ' ' GLY . 34.5 pt -58.32 -41.11 80.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.451 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . 0.454 ' N ' HG13 ' D' ' 25' ' ' ILE . . . -64.17 -43.15 97.53 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -58.83 -43.85 90.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.746 0.308 . . . . 0.0 110.662 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.47 140.69 55.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.514 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . 0.425 HD21 HD11 ' D' ' 31' ' ' ILE . 63.6 t30 -100.54 117.8 35.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.413 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -118.69 125.9 50.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.425 HD11 HD21 ' D' ' 29' ' ' ASN . 87.0 mt -132.48 132.56 60.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.801 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -79.93 102.22 9.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.892 0.377 . . . . 0.0 110.536 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.547 -179.882 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -98.41 -50.34 4.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.401 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 -92.88 159.26 36.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.432 ' HD2' HD11 ' A' ' 10' ' ' ILE . 35.4 Cg_exo -57.07 -39.78 88.51 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.623 2.215 . . . . 0.0 112.049 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -143.1 -81.73 0.19 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.632 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -149.16 168.06 24.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.03 -41.35 85.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.633 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.38 -35.24 80.24 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.638 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -70.78 -41.33 71.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.795 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.432 HD11 ' HD2' ' A' ' 4' ' ' PRO . 6.2 mm -64.64 -44.01 96.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.997 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.9 m -60.5 -50.98 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.379 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -58.66 -38.17 77.58 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.366 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -50.93 71.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.079 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.2 -41.14 91.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.599 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.39 -63.18 1.37 Allowed 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.942 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.0 m -45.48 -40.53 8.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.226 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.73 -61.39 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.413 . . . . 0.0 110.6 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.71 -19.48 63.95 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.086 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 23' ' ' TRP . 3.4 t-160 -69.44 -49.42 55.18 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.026 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.487 ' O ' HG23 ' A' ' 24' ' ' THR . 0.2 OUTLIER -73.76 -23.53 59.74 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.974 179.384 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 80.3 mmm -69.48 -55.41 10.33 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.588 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.24 -38.68 82.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.16 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.408 ' HB2' ' O ' ' A' ' 19' ' ' HIS . 3.9 t90 -62.88 -40.25 96.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.583 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 20' ' ' PHE . 17.8 p -68.2 -39.17 82.52 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.813 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.8 mt -62.61 -46.39 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.641 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.42 99.9 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.28 -44.12 83.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.746 0.308 . . . . 0.0 110.393 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt -77.93 119.09 20.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.481 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -116.28 142.18 47.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.807 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -108.88 119.68 40.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.302 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.5 mt -112.19 127.46 69.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.71 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -123.28 115.26 21.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.506 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.8 mtp-105 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.497 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -98.4 -50.06 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.444 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -93.32 159.33 35.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.42 ' HD2' HD11 ' B' ' 10' ' ' ILE . 35.3 Cg_exo -57.14 -39.68 88.83 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 122.597 2.198 . . . . 0.0 112.07 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -143.12 -81.93 0.19 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.642 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -149.06 168.0 24.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.509 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.01 -41.23 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.645 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.46 -35.25 80.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.633 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 75.2 m -70.76 -41.33 71.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.848 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.42 HD11 ' HD2' ' B' ' 4' ' ' PRO . 6.2 mm -64.55 -44.08 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.021 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' CYS . . . . . . . . . . . . . 82.9 m -60.54 -51.02 71.23 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.295 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 58.5 m -58.66 -38.13 77.48 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.415 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.2 -50.82 72.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.227 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.29 -41.19 91.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.532 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.22 -63.5 1.27 Allowed 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 68.4 m -45.22 -40.51 7.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.262 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.65 -61.72 2.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.975 0.416 . . . . 0.0 110.572 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.45 -19.45 63.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.124 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.417 ' O ' ' HB2' ' B' ' 23' ' ' TRP . 3.4 t-160 -69.48 -49.31 55.94 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.108 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.487 ' O ' HG23 ' B' ' 24' ' ' THR . 0.2 OUTLIER -73.87 -23.35 59.59 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.965 179.393 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' MET . . . . . . . . . . . . . 80.3 mmm -69.59 -55.48 9.98 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.566 -0.454 . . . . 0.0 111.556 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.9 -38.88 83.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.257 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.417 ' HB2' ' O ' ' B' ' 19' ' ' HIS . 4.0 t90 -62.92 -40.14 96.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.54 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.487 HG23 ' O ' ' B' ' 20' ' ' PHE . 17.8 p -68.25 -39.14 82.33 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.84 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 79.8 mt -62.69 -46.43 96.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.591 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.95 -41.34 99.91 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.35 -44.05 83.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.786 0.327 . . . . 0.0 110.42 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt -78.0 119.13 21.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.471 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -116.33 142.22 47.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.695 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -108.98 119.46 39.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.272 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 77.6 mt -112.11 127.36 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.771 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -123.23 115.22 21.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.496 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 24.8 mtp-105 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.477 -179.911 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ttp . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -98.44 -50.34 4.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.434 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 -92.98 159.34 35.91 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.81 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . 0.421 ' HD2' HD11 ' C' ' 10' ' ' ILE . 35.7 Cg_exo -57.18 -39.81 87.66 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 122.654 2.236 . . . . 0.0 112.074 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -142.98 -81.66 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.637 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -149.39 167.94 24.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.538 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.02 -41.17 85.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.693 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.44 -35.34 80.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.628 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 75.6 m -70.69 -41.37 72.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.763 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.421 HD11 ' HD2' ' C' ' 4' ' ' PRO . 6.1 mm -64.56 -44.04 96.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.983 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 82.4 m -60.54 -50.9 71.71 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.303 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -58.74 -38.25 77.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.384 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -51.03 71.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.104 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 87.5 mt -64.2 -41.06 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.563 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.44 -63.02 1.42 Allowed 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 69.6 m -45.45 -40.82 8.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.203 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.56 -61.43 2.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.97 0.415 . . . . 0.0 110.657 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.73 -19.23 63.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.086 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -69.74 -49.27 54.72 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.057 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.495 ' O ' HG23 ' C' ' 24' ' ' THR . 0.2 OUTLIER -73.7 -23.73 59.84 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.916 179.376 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' MET . . . . . . . . . . . . . 80.4 mmm -69.35 -55.45 10.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.037 0.446 . . . . 0.0 111.558 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.17 -38.64 82.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.208 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -62.95 -40.28 97.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.518 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' THR . . . . . 0.495 HG23 ' O ' ' C' ' 20' ' ' PHE . 17.7 p -68.14 -39.25 82.72 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.821 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.61 -46.26 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.636 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.09 -41.44 99.78 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.671 -0.971 . . . . 0.0 110.671 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -57.34 -44.2 84.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.678 0.275 . . . . 0.0 110.388 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt -77.82 119.1 20.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.442 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -116.33 142.2 47.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.748 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -108.89 119.63 40.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.28 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 77.9 mt -112.19 127.58 69.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.729 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -123.43 115.29 21.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.44 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . 24.7 mtp-105 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.419 -179.91 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -98.32 -51.19 4.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.318 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -91.74 159.24 38.8 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . 0.408 ' HD2' HD11 ' D' ' 10' ' ' ILE . 34.6 Cg_exo -57.16 -39.84 87.51 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.651 2.234 . . . . 0.0 112.034 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -143.02 -81.59 0.19 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.664 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -149.37 167.93 24.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.481 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 81.7 mt -59.94 -41.38 85.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.649 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.32 -35.36 80.61 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.58 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 75.8 m -70.68 -41.29 72.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.845 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.408 HD11 ' HD2' ' D' ' 4' ' ' PRO . 6.2 mm -64.5 -44.07 96.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.986 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' CYS . . . . . . . . . . . . . 83.9 m -60.55 -51.03 71.14 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.25 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 59.0 m -58.56 -38.36 77.68 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.38 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -50.94 71.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.2 -41.08 91.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.496 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.45 -60.41 3.59 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.126 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -47.2 -40.6 16.46 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.85 -60.6 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.659 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.38 -19.32 64.56 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.12 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' D' ' 23' ' ' TRP . 3.4 t-160 -69.53 -49.64 52.53 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.868 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.488 ' O ' HG23 ' D' ' 24' ' ' THR . 0.2 OUTLIER -73.49 -23.79 60.09 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.928 179.514 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' MET . . . . . . . . . . . . . 80.1 mmm -69.42 -55.41 10.41 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.535 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.17 -38.71 82.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.193 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' TRP . . . . . 0.408 ' HB2' ' O ' ' D' ' 19' ' ' HIS . 4.0 t90 -62.83 -40.43 97.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.436 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' THR . . . . . 0.488 HG23 ' O ' ' D' ' 20' ' ' PHE . 17.6 p -68.03 -39.2 83.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.781 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 79.9 mt -62.65 -46.32 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.595 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.65 99.85 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.09 -44.39 83.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.729 0.3 . . . . 0.0 110.356 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tt -77.6 119.05 20.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.473 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -116.38 142.18 47.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.754 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -108.89 120.12 41.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.249 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 78.0 mt -112.62 127.56 69.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.728 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -123.32 115.29 21.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.468 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' ARG . . . . . . . . . . . . . 24.7 mtp-105 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.433 -179.954 . . . . . . . . 0 0 . 1 stop_ save_