data_2mcx_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2mcx _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.47 ' N ' ' CD1' ' A' ' 2' ' ' ILE . 2.1 mp -63.18 -42.48 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.599 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -52.77 -41.62 64.23 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.358 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -50.52 -40.87 52.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.494 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 1.9 mp -62.89 -47.16 94.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.563 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -68.38 -42.8 78.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.074 0.464 . . . . 0.0 110.618 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.67 -35.11 79.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.404 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.01 -36.31 90.72 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.67 -49.69 82.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.926 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -67.04 -40.1 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.744 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -65.65 -46.51 78.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.52 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.51 -24.83 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.672 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.01 -45.07 17.0 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -59.39 -41.42 89.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.305 -0.448 . . . . 0.0 110.788 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.2 m -62.23 -43.56 98.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.997 0.427 . . . . 0.0 110.447 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.412 HD11 HG23 ' A' ' 16' ' ' ILE . 94.8 mt -63.65 -43.97 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.346 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.16 -34.51 90.12 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -60.7 -45.4 94.35 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.471 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -65.8 -36.18 82.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.688 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.873 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.422 HG21 HD13 ' A' ' 2' ' ' ILE . 33.0 mm -64.16 -41.67 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.183 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -53.35 -41.34 65.71 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -50.92 -38.79 52.26 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.104 -0.239 . . . . 0.0 111.578 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.402 HG22 HD13 ' A' ' 5' ' ' ILE . 31.6 mm -61.34 -47.74 92.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.243 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -69.48 -44.09 71.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.502 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.443 HH11 ' CE1' ' A' ' 11' ' ' HIS . 71.3 ttp85 -62.84 -36.06 81.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.77 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.13 -34.5 84.23 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.71 -43.72 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.982 0.42 . . . . 0.0 110.163 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.93 -45.05 97.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.776 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.443 ' CE1' HH11 ' A' ' 7' ' ' ARG . 46.9 m80 -67.12 -45.16 78.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.698 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.48 67.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.644 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.25 -38.5 14.87 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -59.11 -42.37 90.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.563 -0.319 . . . . 0.0 110.364 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.2 m -63.0 -43.88 97.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.443 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.82 -44.57 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.299 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.44 -36.41 93.35 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.8 ttt-85 -66.21 -43.83 85.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.256 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -64.76 -40.11 94.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.728 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' A' ' 3' ' ' HIS . 20.7 tt -50.99 -41.93 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.502 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.497 ' CG ' ' N ' ' A' ' 4' ' ' HIS . 31.4 p80 -73.34 -47.55 41.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.693 0.283 . . . . 0.0 110.293 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.497 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 76.4 t60 -47.2 -54.54 10.49 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 tt -56.87 -48.02 82.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 122.072 -0.392 . . . . 0.0 111.751 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -67.88 -45.98 72.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -65.03 -34.67 78.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.306 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.04 -33.54 60.88 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.408 HG23 HD12 ' A' ' 9' ' ' ILE . 36.5 mm -62.77 -44.55 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.626 0.251 . . . . 0.0 110.459 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.98 -47.12 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.733 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -65.74 -47.78 74.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.613 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.47 -31.05 68.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.729 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.23 -37.17 18.96 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -62.04 -42.71 99.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.715 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.1 p -64.86 -42.61 94.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.12 -44.15 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.407 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.3 -34.59 90.36 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -62.02 -44.84 95.85 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.591 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -61.72 -36.35 80.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.513 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.6 tp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.265 -179.891 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.5 t80 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.7 pt -66.88 -35.27 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.679 ' HE2' ' CE1' ' A' ' 4' ' ' HIS . 43.8 p-80 -56.46 -43.47 79.58 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.515 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.679 ' CE1' ' HE2' ' A' ' 3' ' ' HIS . 55.0 m-70 -53.17 -38.74 63.04 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -177.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.17 -48.9 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.983 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -70.61 -39.23 73.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.081 0.467 . . . . 0.0 110.734 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -62.84 -37.39 86.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.295 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.51 -34.23 87.05 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.01 -48.77 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.622 0.248 . . . . 0.0 110.687 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.53 -36.99 78.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -65.64 -44.83 85.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.003 0.43 . . . . 0.0 110.335 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.58 -24.44 56.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.321 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.83 -31.63 48.37 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.0 mmm-85 -69.39 -41.99 75.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.149 -0.525 . . . . 0.0 111.184 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.596 ' HG ' ' H ' ' A' ' 16' ' ' ILE . 85.1 p -66.61 -51.72 53.19 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.839 0.352 . . . . 0.0 111.395 -179.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.596 ' H ' ' HG ' ' A' ' 15' ' ' SER . 21.0 tt -64.02 -41.32 92.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.302 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.53 -34.16 88.34 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -61.03 -44.66 97.08 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.716 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -63.64 -33.74 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.778 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.4 tp . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.568 -179.528 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.49 ' H3 ' ' CE1' ' A' ' 3' ' ' HIS . 97.6 m-85 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.527 ' H ' ' CD1' ' A' ' 2' ' ' ILE . 2.1 mp -52.62 -41.4 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.283 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.563 ' H ' ' CD2' ' A' ' 3' ' ' HIS . 2.0 p80 -70.4 -45.57 65.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.44 ' CE1' HH21 ' A' ' 7' ' ' ARG . 1.6 m-70 -47.88 -52.24 20.0 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -176.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.8 tt -60.81 -45.66 97.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.358 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -67.3 -46.34 73.84 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.742 0.306 . . . . 0.0 111.089 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.44 HH21 ' CE1' ' A' ' 4' ' ' HIS . 80.2 mtm180 -67.2 -35.14 78.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.384 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.65 -37.46 94.26 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.38 -44.78 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.147 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.9 t -66.81 -45.2 88.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.816 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -66.99 -48.8 67.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.769 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.42 ' O ' ' OG ' ' A' ' 15' ' ' SER . . . -65.83 -32.52 74.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.77 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.96 -53.58 5.71 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -50.06 -33.47 18.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.876 0.37 . . . . 0.0 110.768 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 12' ' ' ALA . 98.2 p -62.52 -33.15 74.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 tp -52.01 -39.5 26.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.532 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.61 -43.38 92.25 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -65.88 -43.94 86.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.821 0.344 . . . . 0.0 110.913 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -60.08 -37.45 79.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.9 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.759 -179.361 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.23 -39.73 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.481 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.546 ' H ' ' CD2' ' A' ' 3' ' ' HIS . 6.5 p80 -66.22 -42.49 88.64 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.332 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -48.97 -52.8 22.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 tt -67.76 -46.41 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.388 -0.525 . . . . 0.0 112.154 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -69.87 -49.8 48.78 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.002 0.429 . . . . 0.0 111.334 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 3' ' ' HIS . 75.1 ttt180 -61.6 -35.07 76.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.216 -179.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.41 -34.02 83.51 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.9 mm -63.88 -44.08 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.2 -45.74 92.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.717 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -66.54 -46.86 74.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.975 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.41 -31.03 72.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.34 -34.93 24.74 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -53.78 -36.5 62.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.327 -0.437 . . . . 0.0 110.944 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.1 m -61.12 -42.61 98.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.951 0.405 . . . . 0.0 110.686 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.504 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.8 mp -64.71 -44.35 96.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.46 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.07 -41.45 98.5 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -65.08 -44.53 88.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.86 0.362 . . . . 0.0 110.519 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -64.5 -35.49 81.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.204 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.9 tp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.348 -179.722 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.4 t80 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.5 pt -68.03 -34.92 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.674 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -55.3 -41.32 72.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.246 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -51.68 -38.98 57.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -177.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.9 mm -61.77 -48.49 88.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.618 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -66.74 -46.35 75.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.055 0.455 . . . . 0.0 110.53 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -64.89 -35.82 82.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.238 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.78 -34.06 87.38 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.418 HD13 HG21 ' A' ' 9' ' ' ILE . 93.6 mt -64.06 -43.75 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.51 -44.53 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.527 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -63.57 -47.51 81.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.712 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.04 -27.03 66.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.477 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.18 -39.52 62.47 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.97 -39.29 93.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.74 -0.73 . . . . 0.0 111.695 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -62.64 -47.31 84.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.903 0.382 . . . . 0.0 111.095 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.3 pt -70.87 -41.7 77.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.658 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.98 -34.85 90.98 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.71 -44.31 96.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.99 0.424 . . . . 0.0 110.159 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -62.16 -35.94 80.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.52 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.444 -179.45 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 18.8 t80 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 36.9 mm -65.67 -41.85 91.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.605 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -51.99 -42.01 62.63 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.283 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -50.94 -37.98 47.61 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.6 mt -62.0 -48.53 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.091 0.472 . . . . 0.0 110.517 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -70.28 -38.86 75.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.783 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -65.0 -37.72 88.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.237 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.01 -37.76 92.28 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.72 -49.58 83.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.934 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.5 m -67.35 -40.0 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.908 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -66.51 -46.25 76.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 110.627 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' O ' ' OG ' ' A' ' 15' ' ' SER . . . -60.47 -24.33 65.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.095 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.2 -43.32 32.8 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -58.09 -34.73 70.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.197 -0.502 . . . . 0.0 110.483 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 12' ' ' ALA . 34.9 p -63.75 -34.47 77.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.835 0.35 . . . . 0.0 110.59 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.9 mm -61.76 -48.53 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.088 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.61 -43.0 99.44 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.9 tpt85 -66.0 -43.84 86.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -61.18 -36.26 79.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.421 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.161 -179.592 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.4 tt -62.88 -39.77 86.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -54.54 -42.22 70.65 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -49.58 -39.84 36.59 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.43 -46.56 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.582 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -70.79 -41.25 71.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.992 0.425 . . . . 0.0 110.943 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -67.72 -36.02 79.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.254 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.95 -36.78 93.72 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.96 -44.6 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.108 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.82 -44.47 85.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.732 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -65.38 -47.42 76.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.782 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.32 -26.8 68.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.769 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.1 -52.35 6.9 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -50.42 -34.09 23.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.471 -0.365 . . . . 0.0 110.15 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.5 t -62.34 -37.56 86.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.9 mm -62.83 -44.09 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.109 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.45 -35.08 91.21 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.91 -44.51 96.64 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -63.18 -35.46 80.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.489 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.7 tp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.157 -179.786 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.18 -34.96 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.55 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -58.33 -44.16 88.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.921 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -49.2 -39.95 31.62 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.58 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.502 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 2.0 mp -63.75 -47.35 91.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.799 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -70.69 -37.89 73.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -64.85 -35.96 82.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.077 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.42 -34.58 85.9 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.433 HG22 HD12 ' A' ' 9' ' ' ILE . 37.7 mm -64.38 -45.37 96.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.37 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.41 -46.36 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.646 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -67.09 -45.35 77.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.26 -29.49 70.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.723 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.0 -46.46 22.48 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -61.38 -37.31 82.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.553 -0.323 . . . . 0.0 110.574 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -64.72 -42.76 95.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 0.0 110.812 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 87.2 mt -64.42 -44.3 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.398 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.96 -34.03 88.85 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -57.0 -45.9 82.69 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.433 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -64.11 -35.42 80.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.73 0.3 . . . . 0.0 110.624 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.434 -179.455 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.47 ' N ' ' CD1' ' A' ' 2' ' ' ILE . 2.1 mp -63.18 -42.48 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.599 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -52.77 -41.62 64.23 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.358 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -50.52 -40.87 52.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.494 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 1.9 mp -62.89 -47.16 94.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.563 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -68.38 -42.8 78.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.074 0.464 . . . . 0.0 110.618 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.67 -35.11 79.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.404 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.01 -36.31 90.72 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.67 -49.69 82.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.926 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -67.04 -40.1 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.744 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -65.65 -46.51 78.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.52 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.51 -24.83 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.672 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.01 -45.07 17.0 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -59.39 -41.42 89.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.305 -0.448 . . . . 0.0 110.788 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.2 m -62.23 -43.56 98.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.997 0.427 . . . . 0.0 110.447 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.412 HD11 HG23 ' A' ' 16' ' ' ILE . 94.8 mt -63.65 -43.97 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.346 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.16 -34.51 90.12 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -60.7 -45.4 94.35 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.471 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -65.8 -36.18 82.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.688 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -40.05 93.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.873 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.9 m -61.99 -45.9 91.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.08 -0.01 13.19 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.047 0 O-C-N 122.522 -0.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.422 HG21 HD13 ' A' ' 2' ' ' ILE . 33.0 mm -64.16 -41.67 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.183 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -53.35 -41.34 65.71 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -50.92 -38.79 52.26 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.104 -0.239 . . . . 0.0 111.578 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.402 HG22 HD13 ' A' ' 5' ' ' ILE . 31.6 mm -61.34 -47.74 92.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.243 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -69.48 -44.09 71.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.502 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.443 HH11 ' CE1' ' A' ' 11' ' ' HIS . 71.3 ttp85 -62.84 -36.06 81.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.77 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.13 -34.5 84.23 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.71 -43.72 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.982 0.42 . . . . 0.0 110.163 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.93 -45.05 97.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.776 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.443 ' CE1' HH11 ' A' ' 7' ' ' ARG . 46.9 m80 -67.12 -45.16 78.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.698 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.48 67.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.644 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.25 -38.5 14.87 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -59.11 -42.37 90.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.563 -0.319 . . . . 0.0 110.364 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.2 m -63.0 -43.88 97.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.443 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.82 -44.57 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.299 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.44 -36.41 93.35 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.8 ttt-85 -66.21 -43.83 85.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.256 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -64.76 -40.11 94.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.728 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -40.12 93.22 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 -179.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.81 ' C ' ' HN2' ' A' ' 23' ' ' NH2 . 23.7 m -62.78 -47.8 81.92 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.886 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -43.7 -0.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.81 ' HN2' ' C ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.065 0 O-C-N 122.483 -0.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' A' ' 3' ' ' HIS . 20.7 tt -50.99 -41.93 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.502 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.497 ' CG ' ' N ' ' A' ' 4' ' ' HIS . 31.4 p80 -73.34 -47.55 41.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.693 0.283 . . . . 0.0 110.293 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.497 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 76.4 t60 -47.2 -54.54 10.49 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 tt -56.87 -48.02 82.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 122.072 -0.392 . . . . 0.0 111.751 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -67.88 -45.98 72.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -65.03 -34.67 78.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.306 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.04 -33.54 60.88 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.408 HG23 HD12 ' A' ' 9' ' ' ILE . 36.5 mm -62.77 -44.55 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.626 0.251 . . . . 0.0 110.459 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.98 -47.12 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.733 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -65.74 -47.78 74.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.613 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.47 -31.05 68.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.729 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.23 -37.17 18.96 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -62.04 -42.71 99.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.715 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.1 p -64.86 -42.61 94.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.12 -44.15 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.407 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.3 -34.59 90.36 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -62.02 -44.84 95.85 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.591 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -61.72 -36.35 80.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.513 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.6 tp -58.37 -38.01 76.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.265 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.431 ' CG2' ' N ' ' A' ' 22' ' ' GLY . 67.1 m -52.9 166.33 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.769 0.318 . . . . 0.0 110.53 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.431 ' N ' ' CG2' ' A' ' 21' ' ' THR . . . 70.24 -0.03 26.53 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 1.001 0 O-C-N 122.49 -0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.5 t80 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.7 pt -66.88 -35.27 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.679 ' HE2' ' CE1' ' A' ' 4' ' ' HIS . 43.8 p-80 -56.46 -43.47 79.58 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.515 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.679 ' CE1' ' HE2' ' A' ' 3' ' ' HIS . 55.0 m-70 -53.17 -38.74 63.04 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -177.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.17 -48.9 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.983 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -70.61 -39.23 73.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.081 0.467 . . . . 0.0 110.734 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -62.84 -37.39 86.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.295 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.51 -34.23 87.05 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.01 -48.77 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.622 0.248 . . . . 0.0 110.687 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.53 -36.99 78.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -65.64 -44.83 85.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.003 0.43 . . . . 0.0 110.335 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.58 -24.44 56.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.321 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.83 -31.63 48.37 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.0 mmm-85 -69.39 -41.99 75.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.149 -0.525 . . . . 0.0 111.184 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.596 ' HG ' ' H ' ' A' ' 16' ' ' ILE . 85.1 p -66.61 -51.72 53.19 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.839 0.352 . . . . 0.0 111.395 -179.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.596 ' H ' ' HG ' ' A' ' 15' ' ' SER . 21.0 tt -64.02 -41.32 92.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.302 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.53 -34.16 88.34 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -61.03 -44.66 97.08 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.716 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -63.64 -33.74 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.778 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.4 tp -57.86 -34.96 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.568 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -50.28 140.0 13.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.337 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.49 0.02 86.17 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.047 0 O-C-N 122.525 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.49 ' H3 ' ' CE1' ' A' ' 3' ' ' HIS . 97.6 m-85 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.527 ' H ' ' CD1' ' A' ' 2' ' ' ILE . 2.1 mp -52.62 -41.4 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.283 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.563 ' H ' ' CD2' ' A' ' 3' ' ' HIS . 2.0 p80 -70.4 -45.57 65.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.44 ' CE1' HH21 ' A' ' 7' ' ' ARG . 1.6 m-70 -47.88 -52.24 20.0 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -176.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.8 tt -60.81 -45.66 97.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.358 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -67.3 -46.34 73.84 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.742 0.306 . . . . 0.0 111.089 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.44 HH21 ' CE1' ' A' ' 4' ' ' HIS . 80.2 mtm180 -67.2 -35.14 78.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.384 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.65 -37.46 94.26 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.38 -44.78 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.147 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.9 t -66.81 -45.2 88.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.816 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -66.99 -48.8 67.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.769 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.42 ' O ' ' OG ' ' A' ' 15' ' ' SER . . . -65.83 -32.52 74.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.77 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.96 -53.58 5.71 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -50.06 -33.47 18.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.876 0.37 . . . . 0.0 110.768 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 12' ' ' ALA . 98.2 p -62.52 -33.15 74.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 tp -52.01 -39.5 26.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.532 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.61 -43.38 92.25 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' O ' ' OG1' ' A' ' 21' ' ' THR . 10.0 tpt180 -65.88 -43.94 86.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.821 0.344 . . . . 0.0 110.913 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 84.8 t80 -60.08 -37.45 79.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.9 mt -60.04 -38.54 83.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.759 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.411 ' OG1' ' N ' ' A' ' 22' ' ' GLY . 32.2 p -50.09 -62.51 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.436 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -146.54 -0.01 0.74 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.543 ' N ' ' O ' ' A' ' 19' ' ' PHE . . . . . . . . 0 C--N 1.359 1.018 0 O-C-N 122.49 -0.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.23 -39.73 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.481 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.546 ' H ' ' CD2' ' A' ' 3' ' ' HIS . 6.5 p80 -66.22 -42.49 88.64 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.332 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -48.97 -52.8 22.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 tt -67.76 -46.41 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.388 -0.525 . . . . 0.0 112.154 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -69.87 -49.8 48.78 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.002 0.429 . . . . 0.0 111.334 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 3' ' ' HIS . 75.1 ttt180 -61.6 -35.07 76.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.216 -179.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.41 -34.02 83.51 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.9 mm -63.88 -44.08 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.2 -45.74 92.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.717 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -66.54 -46.86 74.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.975 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.41 -31.03 72.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.34 -34.93 24.74 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -53.78 -36.5 62.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.327 -0.437 . . . . 0.0 110.944 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.1 m -61.12 -42.61 98.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.951 0.405 . . . . 0.0 110.686 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.504 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.8 mp -64.71 -44.35 96.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.46 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.07 -41.45 98.5 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -65.08 -44.53 88.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.86 0.362 . . . . 0.0 110.519 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -64.5 -35.49 81.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.204 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.14 -40.74 94.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.348 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.6 m -62.06 -46.24 89.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.767 0.318 . . . . 0.0 110.595 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.44 -0.01 0.03 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.031 0 O-C-N 122.545 -0.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.4 t80 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.5 pt -68.03 -34.92 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.674 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -55.3 -41.32 72.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.246 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -51.68 -38.98 57.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -177.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.9 mm -61.77 -48.49 88.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.618 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -66.74 -46.35 75.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.055 0.455 . . . . 0.0 110.53 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -64.89 -35.82 82.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.238 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.78 -34.06 87.38 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.418 HD13 HG21 ' A' ' 9' ' ' ILE . 93.6 mt -64.06 -43.75 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.51 -44.53 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.527 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -63.57 -47.51 81.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.712 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.04 -27.03 66.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.477 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.18 -39.52 62.47 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.97 -39.29 93.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.74 -0.73 . . . . 0.0 111.695 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -62.64 -47.31 84.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.903 0.382 . . . . 0.0 111.095 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.3 pt -70.87 -41.7 77.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.658 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.98 -34.85 90.98 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.71 -44.31 96.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.99 0.424 . . . . 0.0 110.159 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -62.16 -35.94 80.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.52 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.56 -40.37 82.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.444 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.577 ' HG1' ' N ' ' A' ' 22' ' ' GLY . 30.3 p -59.72 -44.64 93.64 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.24 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.577 ' N ' ' HG1' ' A' ' 21' ' ' THR . . . 78.03 -0.02 74.5 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.058 0 O-C-N 122.472 -0.428 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 18.8 t80 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 36.9 mm -65.67 -41.85 91.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.605 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -51.99 -42.01 62.63 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.283 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -50.94 -37.98 47.61 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.6 mt -62.0 -48.53 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.091 0.472 . . . . 0.0 110.517 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -70.28 -38.86 75.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.783 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -65.0 -37.72 88.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.237 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.01 -37.76 92.28 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.72 -49.58 83.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.934 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.5 m -67.35 -40.0 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.908 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -66.51 -46.25 76.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 110.627 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' O ' ' OG ' ' A' ' 15' ' ' SER . . . -60.47 -24.33 65.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.095 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.2 -43.32 32.8 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -58.09 -34.73 70.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.197 -0.502 . . . . 0.0 110.483 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 12' ' ' ALA . 34.9 p -63.75 -34.47 77.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.835 0.35 . . . . 0.0 110.59 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.9 mm -61.76 -48.53 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.088 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.61 -43.0 99.44 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.9 tpt85 -66.0 -43.84 86.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -61.18 -36.26 79.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.421 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.4 tp -58.95 -37.08 75.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.161 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.8 m -60.31 -45.74 92.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.579 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.51 0.1 51.12 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.029 0 O-C-N 122.492 -0.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.4 tt -62.88 -39.77 86.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -54.54 -42.22 70.65 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -49.58 -39.84 36.59 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.43 -46.56 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.582 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -70.79 -41.25 71.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.992 0.425 . . . . 0.0 110.943 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -67.72 -36.02 79.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.254 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.95 -36.78 93.72 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.96 -44.6 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.108 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.82 -44.47 85.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.732 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -65.38 -47.42 76.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.782 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.32 -26.8 68.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.769 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.1 -52.35 6.9 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -50.42 -34.09 23.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.471 -0.365 . . . . 0.0 110.15 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.5 t -62.34 -37.56 86.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.9 mm -62.83 -44.09 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.109 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.45 -35.08 91.21 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.91 -44.51 96.64 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -63.18 -35.46 80.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.489 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.39 -37.98 79.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.157 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' A' ' 22' ' ' GLY . 58.0 m -50.05 166.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.563 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.417 ' N ' ' CG2' ' A' ' 21' ' ' THR . . . 154.84 -0.02 0.16 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.055 0 O-C-N 122.516 -0.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.18 -34.96 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.55 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -58.33 -44.16 88.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.921 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -49.2 -39.95 31.62 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.58 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.502 ' N ' ' CD1' ' A' ' 5' ' ' ILE . 2.0 mp -63.75 -47.35 91.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.799 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -70.69 -37.89 73.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -64.85 -35.96 82.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.077 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.42 -34.58 85.9 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.433 HG22 HD12 ' A' ' 9' ' ' ILE . 37.7 mm -64.38 -45.37 96.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.37 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.41 -46.36 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.646 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -67.09 -45.35 77.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.26 -29.49 70.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.723 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.0 -46.46 22.48 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -61.38 -37.31 82.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.553 -0.323 . . . . 0.0 110.574 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -64.72 -42.76 95.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 0.0 110.812 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 87.2 mt -64.42 -44.3 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.398 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.96 -34.03 88.85 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 21' ' ' THR . 78.0 ttt-85 -57.0 -45.9 82.69 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.433 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -64.11 -35.42 80.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.73 0.3 . . . . 0.0 110.624 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 tp -58.83 -40.04 82.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.434 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.786 ' C ' ' HN2' ' A' ' 23' ' ' NH2 . 40.7 p -50.2 -57.58 7.46 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.31 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.58 0.03 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.786 ' HN2' ' C ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.033 0 O-C-N 122.537 -0.39 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.686 ' N ' HD12 ' A' ' 2' ' ' ILE . 2.1 mp -63.18 -42.48 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.599 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -52.77 -41.62 64.23 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.358 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -50.52 -40.87 52.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.683 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.9 mp -62.89 -47.16 94.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.563 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -68.38 -42.8 78.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.074 0.464 . . . . 0.0 110.618 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.67 -35.11 79.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.404 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.01 -36.31 90.72 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.67 -49.69 82.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.926 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -67.04 -40.1 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.744 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -65.65 -46.51 78.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.52 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.51 -24.83 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.672 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.01 -45.07 17.0 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -59.39 -41.42 89.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.305 -0.448 . . . . 0.0 110.788 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.2 m -62.23 -43.56 98.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.997 0.427 . . . . 0.0 110.447 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.65 -43.97 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.16 -34.51 90.12 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -60.7 -45.4 94.35 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.471 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -65.8 -36.18 82.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.688 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.873 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.0 mm -64.16 -41.67 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.183 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -53.35 -41.34 65.71 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -50.92 -38.79 52.26 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.104 -0.239 . . . . 0.0 111.578 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.6 mm -61.34 -47.74 92.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.243 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -69.48 -44.09 71.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.502 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.459 HH11 ' CE1' ' A' ' 11' ' ' HIS . 71.3 ttp85 -62.84 -36.06 81.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.77 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.13 -34.5 84.23 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.71 -43.72 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.982 0.42 . . . . 0.0 110.163 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.93 -45.05 97.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.776 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.459 ' CE1' HH11 ' A' ' 7' ' ' ARG . 46.9 m80 -67.12 -45.16 78.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.698 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.48 67.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.644 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.25 -38.5 14.87 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -59.11 -42.37 90.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.563 -0.319 . . . . 0.0 110.364 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.2 m -63.0 -43.88 97.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.443 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.82 -44.57 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.299 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.44 -36.41 93.35 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.8 ttt-85 -66.21 -43.83 85.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.256 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -64.76 -40.11 94.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.728 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.531 HG23 ' N ' ' A' ' 3' ' ' HIS . 20.7 tt -50.99 -41.93 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.502 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.531 ' N ' HG23 ' A' ' 2' ' ' ILE . 31.4 p80 -73.34 -47.55 41.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.693 0.283 . . . . 0.0 110.293 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.497 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 76.4 t60 -47.2 -54.54 10.49 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.516 HG23 ' N ' ' A' ' 6' ' ' PHE . 9.6 tt -56.87 -48.02 82.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 122.072 -0.392 . . . . 0.0 111.751 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.516 ' N ' HG23 ' A' ' 5' ' ' ILE . 10.6 m-85 -67.88 -45.98 72.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 111.103 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -65.03 -34.67 78.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.306 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.04 -33.54 60.88 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.5 mm -62.77 -44.55 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.626 0.251 . . . . 0.0 110.459 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.98 -47.12 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.733 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -65.74 -47.78 74.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.613 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.47 -31.05 68.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.729 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.23 -37.17 18.96 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -62.04 -42.71 99.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.715 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.1 p -64.86 -42.61 94.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.12 -44.15 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.407 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.3 -34.59 90.36 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -62.02 -44.84 95.85 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.591 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -61.72 -36.35 80.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.513 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.6 tp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.265 -179.891 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.5 t80 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.7 pt -66.88 -35.27 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.725 ' HE2' ' CE1' ' A' ' 4' ' ' HIS . 43.8 p-80 -56.46 -43.47 79.58 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.515 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.725 ' CE1' ' HE2' ' A' ' 3' ' ' HIS . 25.1 m170 -53.17 -38.74 63.04 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -177.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.17 -48.9 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.983 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -70.61 -39.23 73.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.081 0.467 . . . . 0.0 110.734 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -62.84 -37.39 86.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.295 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.51 -34.23 87.05 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.01 -48.77 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.622 0.248 . . . . 0.0 110.687 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.53 -36.99 78.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -65.64 -44.83 85.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.003 0.43 . . . . 0.0 110.335 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.58 -24.44 56.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.321 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.83 -31.63 48.37 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.0 mmm-85 -69.39 -41.99 75.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.149 -0.525 . . . . 0.0 111.184 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.1 p -66.61 -51.72 53.19 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.839 0.352 . . . . 0.0 111.395 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 17' ' ' GLY . 21.0 tt -64.02 -41.32 92.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.302 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.48 ' N ' HG23 ' A' ' 16' ' ' ILE . . . -65.53 -34.16 88.34 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -61.03 -44.66 97.08 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.716 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -63.64 -33.74 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.778 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.4 tp . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.568 -179.528 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.676 ' H ' HD12 ' A' ' 2' ' ' ILE . 2.1 mp -52.62 -41.4 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.283 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.635 ' H ' ' CD2' ' A' ' 3' ' ' HIS . 2.0 p80 -70.4 -45.57 65.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.452 ' CE1' HH21 ' A' ' 7' ' ' ARG . 1.6 m-70 -47.88 -52.24 20.0 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -176.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 6' ' ' PHE . 6.8 tt -60.81 -45.66 97.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.358 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.408 ' N ' HG23 ' A' ' 5' ' ' ILE . 5.9 m-85 -67.3 -46.34 73.84 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.742 0.306 . . . . 0.0 111.089 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.525 HH21 ' HD1' ' A' ' 3' ' ' HIS . 80.2 mtm180 -67.2 -35.14 78.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.384 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.65 -37.46 94.26 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.38 -44.78 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.147 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.9 t -66.81 -45.2 88.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.816 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -66.99 -48.8 67.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.769 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.42 ' O ' ' OG ' ' A' ' 15' ' ' SER . . . -65.83 -32.52 74.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.77 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.469 ' O ' HG22 ' A' ' 16' ' ' ILE . . . -75.96 -53.58 5.71 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -50.06 -33.47 18.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.876 0.37 . . . . 0.0 110.768 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 12' ' ' ALA . 98.2 p -62.52 -33.15 74.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 13' ' ' GLY . 2.1 tp -52.01 -39.5 26.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.532 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.61 -43.38 92.25 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -65.88 -43.94 86.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.821 0.344 . . . . 0.0 110.913 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -60.08 -37.45 79.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.9 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.759 -179.361 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.23 -39.73 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.481 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.622 ' H ' ' CD2' ' A' ' 3' ' ' HIS . 6.5 p80 -66.22 -42.49 88.64 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.332 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -48.97 -52.8 22.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 6' ' ' PHE . 11.2 tt -67.76 -46.41 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.388 -0.525 . . . . 0.0 112.154 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.46 ' N ' HG23 ' A' ' 5' ' ' ILE . 12.2 m-85 -69.87 -49.8 48.78 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.002 0.429 . . . . 0.0 111.334 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -61.6 -35.07 76.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.216 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.41 -34.02 83.51 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.9 mm -63.88 -44.08 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.2 -45.74 92.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.717 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -66.54 -46.86 74.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.975 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.41 -31.03 72.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.34 -34.93 24.74 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -53.78 -36.5 62.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.327 -0.437 . . . . 0.0 110.944 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.1 m -61.12 -42.61 98.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.951 0.405 . . . . 0.0 110.686 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.694 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.8 mp -64.71 -44.35 96.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.46 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.07 -41.45 98.5 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -65.08 -44.53 88.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.86 0.362 . . . . 0.0 110.519 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -64.5 -35.49 81.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.204 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.9 tp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.348 -179.722 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.4 t80 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.5 pt -68.03 -34.92 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.674 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -55.3 -41.32 72.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.246 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -51.68 -38.98 57.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -177.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.9 mm -61.77 -48.49 88.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.618 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -66.74 -46.35 75.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.055 0.455 . . . . 0.0 110.53 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -64.89 -35.82 82.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.238 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.78 -34.06 87.38 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.06 -43.75 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.51 -44.53 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.527 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -63.57 -47.51 81.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.712 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.04 -27.03 66.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.477 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.18 -39.52 62.47 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.97 -39.29 93.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.74 -0.73 . . . . 0.0 111.695 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -62.64 -47.31 84.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.903 0.382 . . . . 0.0 111.095 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.3 pt -70.87 -41.7 77.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.658 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.98 -34.85 90.98 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.71 -44.31 96.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.99 0.424 . . . . 0.0 110.159 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -62.16 -35.94 80.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.52 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.444 -179.45 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 18.8 t80 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 36.9 mm -65.67 -41.85 91.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.605 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -51.99 -42.01 62.63 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.283 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -50.94 -37.98 47.61 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.6 mt -62.0 -48.53 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.091 0.472 . . . . 0.0 110.517 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -70.28 -38.86 75.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.783 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -65.0 -37.72 88.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.237 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.01 -37.76 92.28 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.72 -49.58 83.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.934 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 11' ' ' HIS . 28.5 m -67.35 -40.0 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.908 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.405 ' N ' HG23 ' A' ' 10' ' ' VAL . 86.1 t60 -66.51 -46.25 76.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 110.627 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' OG ' ' A' ' 15' ' ' SER . . . -60.47 -24.33 65.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.095 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.2 -43.32 32.8 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -58.09 -34.73 70.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.197 -0.502 . . . . 0.0 110.483 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 12' ' ' ALA . 34.9 p -63.75 -34.47 77.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.835 0.35 . . . . 0.0 110.59 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.9 mm -61.76 -48.53 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.088 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.61 -43.0 99.44 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.9 tpt85 -66.0 -43.84 86.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -61.18 -36.26 79.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.421 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.161 -179.592 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 3' ' ' HIS . 20.4 tt -62.88 -39.77 86.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.473 ' N ' HG23 ' A' ' 2' ' ' ILE . 84.4 m-70 -54.54 -42.22 70.65 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -49.58 -39.84 36.59 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.43 -46.56 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.582 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -70.79 -41.25 71.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.992 0.425 . . . . 0.0 110.943 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -67.72 -36.02 79.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.254 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.95 -36.78 93.72 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.96 -44.6 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.108 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.82 -44.47 85.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.732 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -65.38 -47.42 76.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.782 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.32 -26.8 68.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.769 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.1 -52.35 6.9 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -50.42 -34.09 23.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.471 -0.365 . . . . 0.0 110.15 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.5 t -62.34 -37.56 86.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.9 mm -62.83 -44.09 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.109 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.45 -35.08 91.21 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.91 -44.51 96.64 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -63.18 -35.46 80.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.489 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.7 tp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.157 -179.786 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.18 -34.96 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.55 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -58.33 -44.16 88.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.921 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -49.2 -39.95 31.62 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.58 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.697 ' N ' HD12 ' A' ' 5' ' ' ILE . 2.0 mp -63.75 -47.35 91.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.799 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -70.69 -37.89 73.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -64.85 -35.96 82.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.077 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.42 -34.58 85.9 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.38 -45.37 96.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.41 -46.36 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.646 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -67.09 -45.35 77.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.26 -29.49 70.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.723 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.0 -46.46 22.48 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -61.38 -37.31 82.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.553 -0.323 . . . . 0.0 110.574 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -64.72 -42.76 95.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 0.0 110.812 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 87.2 mt -64.42 -44.3 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.398 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.96 -34.03 88.85 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -57.0 -45.9 82.69 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.433 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -64.11 -35.42 80.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.73 0.3 . . . . 0.0 110.624 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.434 -179.455 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.686 ' N ' HD12 ' A' ' 2' ' ' ILE . 2.1 mp -63.18 -42.48 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.599 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -52.77 -41.62 64.23 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.358 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -50.52 -40.87 52.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.683 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.9 mp -62.89 -47.16 94.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.563 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -68.38 -42.8 78.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.074 0.464 . . . . 0.0 110.618 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.67 -35.11 79.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.404 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.01 -36.31 90.72 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.67 -49.69 82.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.926 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -67.04 -40.1 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.744 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -65.65 -46.51 78.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.52 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.51 -24.83 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.672 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.01 -45.07 17.0 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -59.39 -41.42 89.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.305 -0.448 . . . . 0.0 110.788 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.2 m -62.23 -43.56 98.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.997 0.427 . . . . 0.0 110.447 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.65 -43.97 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.16 -34.51 90.12 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -60.7 -45.4 94.35 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.471 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -65.8 -36.18 82.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.688 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -61.63 -40.05 93.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.873 -179.367 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.9 m -61.99 -45.9 91.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.08 -0.01 13.19 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.047 0 O-C-N 122.522 -0.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.0 mm -64.16 -41.67 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.183 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -53.35 -41.34 65.71 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -50.92 -38.79 52.26 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.104 -0.239 . . . . 0.0 111.578 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.6 mm -61.34 -47.74 92.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.243 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -69.48 -44.09 71.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.502 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.459 HH11 ' CE1' ' A' ' 11' ' ' HIS . 71.3 ttp85 -62.84 -36.06 81.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.77 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.13 -34.5 84.23 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.71 -43.72 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.982 0.42 . . . . 0.0 110.163 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.93 -45.05 97.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.776 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.459 ' CE1' HH11 ' A' ' 7' ' ' ARG . 46.9 m80 -67.12 -45.16 78.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.698 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.48 67.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.644 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.25 -38.5 14.87 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -59.11 -42.37 90.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.563 -0.319 . . . . 0.0 110.364 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.2 m -63.0 -43.88 97.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.443 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.82 -44.57 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.299 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.44 -36.41 93.35 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.8 ttt-85 -66.21 -43.83 85.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.256 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -64.76 -40.11 94.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.728 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -61.41 -40.12 93.22 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 -179.12 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.798 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 23.7 m -62.78 -47.8 81.92 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.886 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -43.7 -0.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.798 ' N ' ' O ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.065 0 O-C-N 122.483 -0.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.531 HG23 ' N ' ' A' ' 3' ' ' HIS . 20.7 tt -50.99 -41.93 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.502 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.531 ' N ' HG23 ' A' ' 2' ' ' ILE . 31.4 p80 -73.34 -47.55 41.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.693 0.283 . . . . 0.0 110.293 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.497 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 76.4 t60 -47.2 -54.54 10.49 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.516 HG23 ' N ' ' A' ' 6' ' ' PHE . 9.6 tt -56.87 -48.02 82.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 122.072 -0.392 . . . . 0.0 111.751 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.516 ' N ' HG23 ' A' ' 5' ' ' ILE . 10.6 m-85 -67.88 -45.98 72.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 111.103 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -65.03 -34.67 78.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.306 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.04 -33.54 60.88 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.5 mm -62.77 -44.55 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.626 0.251 . . . . 0.0 110.459 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.98 -47.12 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.733 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -65.74 -47.78 74.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.613 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.47 -31.05 68.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.729 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.23 -37.17 18.96 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -62.04 -42.71 99.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.715 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.1 p -64.86 -42.61 94.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.12 -44.15 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.407 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.3 -34.59 90.36 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -62.02 -44.84 95.85 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.591 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -61.72 -36.35 80.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.513 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.6 tp -58.37 -38.01 76.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.265 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.609 HG22 ' N ' ' A' ' 22' ' ' GLY . 67.1 m -52.9 166.33 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.769 0.318 . . . . 0.0 110.53 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.609 ' N ' HG22 ' A' ' 21' ' ' THR . . . 70.24 -0.03 26.53 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 1.001 0 O-C-N 122.49 -0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.5 t80 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.7 pt -66.88 -35.27 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.725 ' HE2' ' CE1' ' A' ' 4' ' ' HIS . 43.8 p-80 -56.46 -43.47 79.58 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.515 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.725 ' CE1' ' HE2' ' A' ' 3' ' ' HIS . 25.1 m170 -53.17 -38.74 63.04 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -177.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.17 -48.9 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.983 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -70.61 -39.23 73.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.081 0.467 . . . . 0.0 110.734 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -62.84 -37.39 86.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.295 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.51 -34.23 87.05 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.01 -48.77 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.622 0.248 . . . . 0.0 110.687 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.53 -36.99 78.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -65.64 -44.83 85.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.003 0.43 . . . . 0.0 110.335 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.58 -24.44 56.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.321 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.83 -31.63 48.37 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.0 mmm-85 -69.39 -41.99 75.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.149 -0.525 . . . . 0.0 111.184 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.1 p -66.61 -51.72 53.19 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.839 0.352 . . . . 0.0 111.395 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 17' ' ' GLY . 21.0 tt -64.02 -41.32 92.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.302 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.48 ' N ' HG23 ' A' ' 16' ' ' ILE . . . -65.53 -34.16 88.34 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.559 ' O ' HG22 ' A' ' 21' ' ' THR . 13.2 tpt180 -61.03 -44.66 97.08 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.716 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -63.64 -33.74 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.778 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.4 tp -57.86 -34.96 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.568 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 18' ' ' ARG . 1.6 t -50.28 140.0 13.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.337 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.49 0.02 86.17 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.047 0 O-C-N 122.525 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.676 ' H ' HD12 ' A' ' 2' ' ' ILE . 2.1 mp -52.62 -41.4 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.283 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.635 ' H ' ' CD2' ' A' ' 3' ' ' HIS . 2.0 p80 -70.4 -45.57 65.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.452 ' CE1' HH21 ' A' ' 7' ' ' ARG . 1.6 m-70 -47.88 -52.24 20.0 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -176.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 6' ' ' PHE . 6.8 tt -60.81 -45.66 97.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.358 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.408 ' N ' HG23 ' A' ' 5' ' ' ILE . 5.9 m-85 -67.3 -46.34 73.84 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.742 0.306 . . . . 0.0 111.089 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.525 HH21 ' HD1' ' A' ' 3' ' ' HIS . 80.2 mtm180 -67.2 -35.14 78.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.384 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.65 -37.46 94.26 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.38 -44.78 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.147 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.9 t -66.81 -45.2 88.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.816 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -66.99 -48.8 67.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.769 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.42 ' O ' ' OG ' ' A' ' 15' ' ' SER . . . -65.83 -32.52 74.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.77 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.469 ' O ' HG22 ' A' ' 16' ' ' ILE . . . -75.96 -53.58 5.71 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -50.06 -33.47 18.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.876 0.37 . . . . 0.0 110.768 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 12' ' ' ALA . 98.2 p -62.52 -33.15 74.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 13' ' ' GLY . 2.1 tp -52.01 -39.5 26.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.532 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.61 -43.38 92.25 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -65.88 -43.94 86.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.821 0.344 . . . . 0.0 110.913 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 84.8 t80 -60.08 -37.45 79.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.9 mt -60.04 -38.54 83.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.759 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.411 ' OG1' ' N ' ' A' ' 22' ' ' GLY . 32.2 p -50.09 -62.51 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.436 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -146.54 -0.01 0.74 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.543 ' N ' ' O ' ' A' ' 19' ' ' PHE . . . . . . . . 0 C--N 1.359 1.018 0 O-C-N 122.49 -0.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.23 -39.73 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.481 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.622 ' H ' ' CD2' ' A' ' 3' ' ' HIS . 6.5 p80 -66.22 -42.49 88.64 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.332 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -48.97 -52.8 22.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 6' ' ' PHE . 11.2 tt -67.76 -46.41 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.388 -0.525 . . . . 0.0 112.154 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.46 ' N ' HG23 ' A' ' 5' ' ' ILE . 12.2 m-85 -69.87 -49.8 48.78 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.002 0.429 . . . . 0.0 111.334 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -61.6 -35.07 76.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.216 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.41 -34.02 83.51 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.9 mm -63.88 -44.08 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.2 -45.74 92.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.717 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -66.54 -46.86 74.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.975 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.41 -31.03 72.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.34 -34.93 24.74 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -53.78 -36.5 62.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.327 -0.437 . . . . 0.0 110.944 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.1 m -61.12 -42.61 98.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.951 0.405 . . . . 0.0 110.686 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.694 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.8 mp -64.71 -44.35 96.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.46 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.07 -41.45 98.5 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -65.08 -44.53 88.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.86 0.362 . . . . 0.0 110.519 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -64.5 -35.49 81.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.204 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.14 -40.74 94.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.348 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.6 m -62.06 -46.24 89.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.767 0.318 . . . . 0.0 110.595 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.44 -0.01 0.03 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.031 0 O-C-N 122.545 -0.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.4 t80 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.5 pt -68.03 -34.92 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.674 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -55.3 -41.32 72.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.246 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -51.68 -38.98 57.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -177.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.9 mm -61.77 -48.49 88.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.618 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -66.74 -46.35 75.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.055 0.455 . . . . 0.0 110.53 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -64.89 -35.82 82.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.238 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.78 -34.06 87.38 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.06 -43.75 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.51 -44.53 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.527 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -63.57 -47.51 81.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.712 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.04 -27.03 66.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.477 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.18 -39.52 62.47 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.97 -39.29 93.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.74 -0.73 . . . . 0.0 111.695 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -62.64 -47.31 84.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.903 0.382 . . . . 0.0 111.095 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.3 pt -70.87 -41.7 77.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.658 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.98 -34.85 90.98 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.71 -44.31 96.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.99 0.424 . . . . 0.0 110.159 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -62.16 -35.94 80.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.52 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.56 -40.37 82.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.444 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.3 p -59.72 -44.64 93.64 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.24 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.03 -0.02 74.5 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.058 0 O-C-N 122.472 -0.428 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 18.8 t80 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 36.9 mm -65.67 -41.85 91.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.605 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -51.99 -42.01 62.63 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.283 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -50.94 -37.98 47.61 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.6 mt -62.0 -48.53 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.091 0.472 . . . . 0.0 110.517 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -70.28 -38.86 75.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.783 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -65.0 -37.72 88.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.237 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.01 -37.76 92.28 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.72 -49.58 83.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.934 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 11' ' ' HIS . 28.5 m -67.35 -40.0 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.908 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.405 ' N ' HG23 ' A' ' 10' ' ' VAL . 86.1 t60 -66.51 -46.25 76.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 110.627 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' OG ' ' A' ' 15' ' ' SER . . . -60.47 -24.33 65.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.095 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.2 -43.32 32.8 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -58.09 -34.73 70.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.197 -0.502 . . . . 0.0 110.483 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 12' ' ' ALA . 34.9 p -63.75 -34.47 77.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.835 0.35 . . . . 0.0 110.59 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.9 mm -61.76 -48.53 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.088 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.61 -43.0 99.44 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.9 tpt85 -66.0 -43.84 86.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -61.18 -36.26 79.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.421 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.4 tp -58.95 -37.08 75.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.161 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.8 m -60.31 -45.74 92.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.579 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.51 0.1 51.12 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.029 0 O-C-N 122.492 -0.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 3' ' ' HIS . 20.4 tt -62.88 -39.77 86.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.473 ' N ' HG23 ' A' ' 2' ' ' ILE . 84.4 m-70 -54.54 -42.22 70.65 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -49.58 -39.84 36.59 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.43 -46.56 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.582 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -70.79 -41.25 71.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.992 0.425 . . . . 0.0 110.943 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -67.72 -36.02 79.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.254 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.95 -36.78 93.72 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.96 -44.6 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.108 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.82 -44.47 85.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.732 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -65.38 -47.42 76.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.782 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.32 -26.8 68.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.769 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.1 -52.35 6.9 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -50.42 -34.09 23.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.471 -0.365 . . . . 0.0 110.15 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.5 t -62.34 -37.56 86.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.9 mm -62.83 -44.09 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.109 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.45 -35.08 91.21 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.91 -44.51 96.64 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -63.18 -35.46 80.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.489 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.39 -37.98 79.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.157 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.609 HG22 ' N ' ' A' ' 22' ' ' GLY . 58.0 m -50.05 166.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.563 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.609 ' N ' HG22 ' A' ' 21' ' ' THR . . . 154.84 -0.02 0.16 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.055 0 O-C-N 122.516 -0.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.18 -34.96 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.55 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -58.33 -44.16 88.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.921 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -49.2 -39.95 31.62 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.58 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.697 ' N ' HD12 ' A' ' 5' ' ' ILE . 2.0 mp -63.75 -47.35 91.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.799 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -70.69 -37.89 73.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -64.85 -35.96 82.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.077 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.42 -34.58 85.9 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.38 -45.37 96.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.41 -46.36 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.646 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -67.09 -45.35 77.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.26 -29.49 70.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.723 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.0 -46.46 22.48 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -61.38 -37.31 82.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.553 -0.323 . . . . 0.0 110.574 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -64.72 -42.76 95.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 0.0 110.812 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 87.2 mt -64.42 -44.3 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.398 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.96 -34.03 88.85 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -57.0 -45.9 82.69 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.433 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -64.11 -35.42 80.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.73 0.3 . . . . 0.0 110.624 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 tp -58.83 -40.04 82.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.434 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.755 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 40.7 p -50.2 -57.58 7.46 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.31 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.58 0.03 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.755 ' N ' ' O ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.033 0 O-C-N 122.537 -0.39 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.686 ' N ' HD12 ' A' ' 2' ' ' ILE . 2.1 mp -63.18 -42.48 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.599 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -52.77 -41.62 64.23 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.358 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -50.52 -40.87 52.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.683 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.9 mp -62.89 -47.16 94.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.563 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -68.38 -42.8 78.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.074 0.464 . . . . 0.0 110.618 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.67 -35.11 79.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.404 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.01 -36.31 90.72 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.67 -49.69 82.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.926 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -67.04 -40.1 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.744 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -65.65 -46.51 78.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.52 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.51 -24.83 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.672 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.01 -45.07 17.0 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -59.39 -41.42 89.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.305 -0.448 . . . . 0.0 110.788 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.2 m -62.23 -43.56 98.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.997 0.427 . . . . 0.0 110.447 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.65 -43.97 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.16 -34.51 90.12 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -60.7 -45.4 94.35 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.471 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -65.8 -36.18 82.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.688 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.873 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.0 mm -64.16 -41.67 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.183 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -53.35 -41.34 65.71 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -50.92 -38.79 52.26 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.104 -0.239 . . . . 0.0 111.578 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.6 mm -61.34 -47.74 92.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.243 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -69.48 -44.09 71.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.502 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.459 HH11 ' CE1' ' A' ' 11' ' ' HIS . 71.3 ttp85 -62.84 -36.06 81.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.77 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.13 -34.5 84.23 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.71 -43.72 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.982 0.42 . . . . 0.0 110.163 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.93 -45.05 97.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.776 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.459 ' CE1' HH11 ' A' ' 7' ' ' ARG . 46.9 m80 -67.12 -45.16 78.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.698 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.48 67.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.644 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.25 -38.5 14.87 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -59.11 -42.37 90.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.563 -0.319 . . . . 0.0 110.364 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.2 m -63.0 -43.88 97.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.443 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.82 -44.57 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.299 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.44 -36.41 93.35 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.8 ttt-85 -66.21 -43.83 85.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.256 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -64.76 -40.11 94.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.728 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.531 HG23 ' N ' ' A' ' 3' ' ' HIS . 20.7 tt -50.99 -41.93 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.502 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.531 ' N ' HG23 ' A' ' 2' ' ' ILE . 31.4 p80 -73.34 -47.55 41.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.693 0.283 . . . . 0.0 110.293 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.497 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 76.4 t60 -47.2 -54.54 10.49 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.516 HG23 ' N ' ' A' ' 6' ' ' PHE . 9.6 tt -56.87 -48.02 82.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 122.072 -0.392 . . . . 0.0 111.751 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.516 ' N ' HG23 ' A' ' 5' ' ' ILE . 10.6 m-85 -67.88 -45.98 72.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 111.103 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -65.03 -34.67 78.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.306 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.04 -33.54 60.88 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.5 mm -62.77 -44.55 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.626 0.251 . . . . 0.0 110.459 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.98 -47.12 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.733 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -65.74 -47.78 74.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.613 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.47 -31.05 68.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.729 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.23 -37.17 18.96 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -62.04 -42.71 99.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.715 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.1 p -64.86 -42.61 94.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.12 -44.15 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.407 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.3 -34.59 90.36 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -62.02 -44.84 95.85 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.591 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -61.72 -36.35 80.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.513 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.6 tp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.265 -179.891 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.5 t80 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.7 pt -66.88 -35.27 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.705 ' HE2' ' CE1' ' A' ' 4' ' ' HIS . 43.8 p-80 -56.46 -43.47 79.58 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.515 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.705 ' CE1' ' HE2' ' A' ' 3' ' ' HIS . 55.0 m-70 -53.17 -38.74 63.04 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -177.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.17 -48.9 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.983 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -70.61 -39.23 73.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.081 0.467 . . . . 0.0 110.734 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -62.84 -37.39 86.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.295 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.51 -34.23 87.05 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.01 -48.77 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.622 0.248 . . . . 0.0 110.687 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.53 -36.99 78.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -65.64 -44.83 85.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.003 0.43 . . . . 0.0 110.335 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.58 -24.44 56.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.321 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.83 -31.63 48.37 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.0 mmm-85 -69.39 -41.99 75.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.149 -0.525 . . . . 0.0 111.184 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.1 p -66.61 -51.72 53.19 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.839 0.352 . . . . 0.0 111.395 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 17' ' ' GLY . 21.0 tt -64.02 -41.32 92.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.302 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.48 ' N ' HG23 ' A' ' 16' ' ' ILE . . . -65.53 -34.16 88.34 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -61.03 -44.66 97.08 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.716 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -63.64 -33.74 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.778 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.4 tp . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.568 -179.528 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.676 ' H ' HD12 ' A' ' 2' ' ' ILE . 2.1 mp -52.62 -41.4 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.283 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.635 ' H ' ' CD2' ' A' ' 3' ' ' HIS . 2.0 p80 -70.4 -45.57 65.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.452 ' CE1' HH21 ' A' ' 7' ' ' ARG . 1.6 m-70 -47.88 -52.24 20.0 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -176.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 6' ' ' PHE . 6.8 tt -60.81 -45.66 97.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.358 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.408 ' N ' HG23 ' A' ' 5' ' ' ILE . 5.9 m-85 -67.3 -46.34 73.84 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.742 0.306 . . . . 0.0 111.089 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.525 HH21 ' HD1' ' A' ' 3' ' ' HIS . 80.2 mtm180 -67.2 -35.14 78.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.384 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.65 -37.46 94.26 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.38 -44.78 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.147 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.9 t -66.81 -45.2 88.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.816 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -66.99 -48.8 67.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.769 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.42 ' O ' ' OG ' ' A' ' 15' ' ' SER . . . -65.83 -32.52 74.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.77 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.469 ' O ' HG22 ' A' ' 16' ' ' ILE . . . -75.96 -53.58 5.71 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -50.06 -33.47 18.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.876 0.37 . . . . 0.0 110.768 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 12' ' ' ALA . 98.2 p -62.52 -33.15 74.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 13' ' ' GLY . 2.1 tp -52.01 -39.5 26.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.532 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.61 -43.38 92.25 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -65.88 -43.94 86.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.821 0.344 . . . . 0.0 110.913 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -60.08 -37.45 79.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.9 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.759 -179.361 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.23 -39.73 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.481 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.622 ' H ' ' CD2' ' A' ' 3' ' ' HIS . 6.5 p80 -66.22 -42.49 88.64 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.332 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -48.97 -52.8 22.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 6' ' ' PHE . 11.2 tt -67.76 -46.41 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.388 -0.525 . . . . 0.0 112.154 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.46 ' N ' HG23 ' A' ' 5' ' ' ILE . 12.2 m-85 -69.87 -49.8 48.78 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.002 0.429 . . . . 0.0 111.334 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -61.6 -35.07 76.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.216 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.41 -34.02 83.51 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.9 mm -63.88 -44.08 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.2 -45.74 92.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.717 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -66.54 -46.86 74.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.975 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.41 -31.03 72.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.34 -34.93 24.74 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -53.78 -36.5 62.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.327 -0.437 . . . . 0.0 110.944 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.1 m -61.12 -42.61 98.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.951 0.405 . . . . 0.0 110.686 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.694 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.8 mp -64.71 -44.35 96.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.46 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.07 -41.45 98.5 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -65.08 -44.53 88.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.86 0.362 . . . . 0.0 110.519 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -64.5 -35.49 81.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.204 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.9 tp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.348 -179.722 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.4 t80 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.5 pt -68.03 -34.92 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.674 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -55.3 -41.32 72.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.246 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -51.68 -38.98 57.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -177.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.9 mm -61.77 -48.49 88.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.618 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -66.74 -46.35 75.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.055 0.455 . . . . 0.0 110.53 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -64.89 -35.82 82.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.238 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.78 -34.06 87.38 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.06 -43.75 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.51 -44.53 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.527 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -63.57 -47.51 81.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.712 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.04 -27.03 66.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.477 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.18 -39.52 62.47 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.97 -39.29 93.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.74 -0.73 . . . . 0.0 111.695 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -62.64 -47.31 84.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.903 0.382 . . . . 0.0 111.095 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.3 pt -70.87 -41.7 77.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.658 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.98 -34.85 90.98 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.71 -44.31 96.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.99 0.424 . . . . 0.0 110.159 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -62.16 -35.94 80.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.52 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.5 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.444 -179.45 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 18.8 t80 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 36.9 mm -65.67 -41.85 91.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.605 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -51.99 -42.01 62.63 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.283 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -50.94 -37.98 47.61 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.6 mt -62.0 -48.53 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.091 0.472 . . . . 0.0 110.517 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -70.28 -38.86 75.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.783 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -65.0 -37.72 88.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.237 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.01 -37.76 92.28 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.72 -49.58 83.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.934 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 11' ' ' HIS . 28.5 m -67.35 -40.0 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.908 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.405 ' N ' HG23 ' A' ' 10' ' ' VAL . 86.1 t60 -66.51 -46.25 76.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 110.627 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' OG ' ' A' ' 15' ' ' SER . . . -60.47 -24.33 65.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.095 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.2 -43.32 32.8 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -58.09 -34.73 70.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.197 -0.502 . . . . 0.0 110.483 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 12' ' ' ALA . 34.9 p -63.75 -34.47 77.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.835 0.35 . . . . 0.0 110.59 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.9 mm -61.76 -48.53 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.088 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.61 -43.0 99.44 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.9 tpt85 -66.0 -43.84 86.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -61.18 -36.26 79.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.421 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.161 -179.592 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 3' ' ' HIS . 20.4 tt -62.88 -39.77 86.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.473 ' N ' HG23 ' A' ' 2' ' ' ILE . 84.4 m-70 -54.54 -42.22 70.65 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -49.58 -39.84 36.59 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.43 -46.56 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.582 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -70.79 -41.25 71.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.992 0.425 . . . . 0.0 110.943 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -67.72 -36.02 79.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.254 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.95 -36.78 93.72 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.96 -44.6 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.108 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.82 -44.47 85.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.732 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -65.38 -47.42 76.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.782 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.32 -26.8 68.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.769 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.1 -52.35 6.9 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -50.42 -34.09 23.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.471 -0.365 . . . . 0.0 110.15 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.5 t -62.34 -37.56 86.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.9 mm -62.83 -44.09 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.109 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.45 -35.08 91.21 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.91 -44.51 96.64 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -63.18 -35.46 80.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.489 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.7 tp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.157 -179.786 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.18 -34.96 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.55 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -58.33 -44.16 88.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.921 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -49.2 -39.95 31.62 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.58 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.697 ' N ' HD12 ' A' ' 5' ' ' ILE . 2.0 mp -63.75 -47.35 91.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.799 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -70.69 -37.89 73.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -64.85 -35.96 82.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.077 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.42 -34.58 85.9 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.38 -45.37 96.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.41 -46.36 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.646 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -67.09 -45.35 77.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.26 -29.49 70.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.723 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.0 -46.46 22.48 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -61.38 -37.31 82.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.553 -0.323 . . . . 0.0 110.574 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -64.72 -42.76 95.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 0.0 110.812 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 87.2 mt -64.42 -44.3 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.398 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.96 -34.03 88.85 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -57.0 -45.9 82.69 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.433 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -64.11 -35.42 80.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.73 0.3 . . . . 0.0 110.624 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.434 -179.455 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.686 ' N ' HD12 ' A' ' 2' ' ' ILE . 2.1 mp -63.18 -42.48 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.599 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -52.77 -41.62 64.23 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.358 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -50.52 -40.87 52.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.683 ' N ' HD12 ' A' ' 5' ' ' ILE . 1.9 mp -62.89 -47.16 94.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.563 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -68.38 -42.8 78.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.074 0.464 . . . . 0.0 110.618 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.67 -35.11 79.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.404 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.01 -36.31 90.72 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.67 -49.69 82.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.926 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 p -67.04 -40.1 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.744 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -65.65 -46.51 78.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.52 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.51 -24.83 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.672 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.01 -45.07 17.0 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -59.39 -41.42 89.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.305 -0.448 . . . . 0.0 110.788 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.2 m -62.23 -43.56 98.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.997 0.427 . . . . 0.0 110.447 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.65 -43.97 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.346 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.16 -34.51 90.12 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -60.7 -45.4 94.35 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.471 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -65.8 -36.18 82.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.688 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -61.63 -40.05 93.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.873 -179.367 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.9 m -61.99 -45.9 91.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.08 -0.01 13.19 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.047 0 O-C-N 122.522 -0.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.0 mm -64.16 -41.67 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.183 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -53.35 -41.34 65.71 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -50.92 -38.79 52.26 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.104 -0.239 . . . . 0.0 111.578 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.6 mm -61.34 -47.74 92.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.243 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -69.48 -44.09 71.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.502 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.459 HH11 ' CE1' ' A' ' 11' ' ' HIS . 71.3 ttp85 -62.84 -36.06 81.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.77 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.13 -34.5 84.23 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.71 -43.72 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.982 0.42 . . . . 0.0 110.163 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.93 -45.05 97.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.776 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.459 ' CE1' HH11 ' A' ' 7' ' ' ARG . 46.9 m80 -67.12 -45.16 78.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.698 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.48 67.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.644 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.25 -38.5 14.87 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -59.11 -42.37 90.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.563 -0.319 . . . . 0.0 110.364 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.2 m -63.0 -43.88 97.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.443 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.82 -44.57 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.299 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.44 -36.41 93.35 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.8 ttt-85 -66.21 -43.83 85.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.256 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -64.76 -40.11 94.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.728 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -61.41 -40.12 93.22 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 -179.12 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.798 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 23.7 m -62.78 -47.8 81.92 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.886 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -43.7 -0.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.798 ' N ' ' O ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.065 0 O-C-N 122.483 -0.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.531 HG23 ' N ' ' A' ' 3' ' ' HIS . 20.7 tt -50.99 -41.93 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.502 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.531 ' N ' HG23 ' A' ' 2' ' ' ILE . 31.4 p80 -73.34 -47.55 41.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.693 0.283 . . . . 0.0 110.293 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.497 ' N ' ' CG ' ' A' ' 3' ' ' HIS . 76.4 t60 -47.2 -54.54 10.49 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.516 HG23 ' N ' ' A' ' 6' ' ' PHE . 9.6 tt -56.87 -48.02 82.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 O-C-N 122.072 -0.392 . . . . 0.0 111.751 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.516 ' N ' HG23 ' A' ' 5' ' ' ILE . 10.6 m-85 -67.88 -45.98 72.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 111.103 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -65.03 -34.67 78.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.306 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.04 -33.54 60.88 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.5 mm -62.77 -44.55 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.626 0.251 . . . . 0.0 110.459 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.98 -47.12 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.733 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -65.74 -47.78 74.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.613 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.47 -31.05 68.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.729 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.23 -37.17 18.96 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -62.04 -42.71 99.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.774 0.321 . . . . 0.0 110.715 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.1 p -64.86 -42.61 94.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.12 -44.15 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.407 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.3 -34.59 90.36 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -62.02 -44.84 95.85 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.591 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -61.72 -36.35 80.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.513 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.6 tp -58.37 -38.01 76.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.265 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.609 HG22 ' N ' ' A' ' 22' ' ' GLY . 67.1 m -52.9 166.33 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.769 0.318 . . . . 0.0 110.53 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.609 ' N ' HG22 ' A' ' 21' ' ' THR . . . 70.24 -0.03 26.53 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 1.001 0 O-C-N 122.49 -0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.5 t80 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.7 pt -66.88 -35.27 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.705 ' HE2' ' CE1' ' A' ' 4' ' ' HIS . 43.8 p-80 -56.46 -43.47 79.58 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.515 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.705 ' CE1' ' HE2' ' A' ' 3' ' ' HIS . 55.0 m-70 -53.17 -38.74 63.04 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -177.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.17 -48.9 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.983 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -70.61 -39.23 73.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.081 0.467 . . . . 0.0 110.734 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -62.84 -37.39 86.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.295 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.51 -34.23 87.05 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.01 -48.77 86.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.622 0.248 . . . . 0.0 110.687 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.53 -36.99 78.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -65.64 -44.83 85.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.003 0.43 . . . . 0.0 110.335 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.58 -24.44 56.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.321 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.83 -31.63 48.37 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 48.0 mmm-85 -69.39 -41.99 75.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.149 -0.525 . . . . 0.0 111.184 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.1 p -66.61 -51.72 53.19 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.839 0.352 . . . . 0.0 111.395 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 17' ' ' GLY . 21.0 tt -64.02 -41.32 92.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.302 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.48 ' N ' HG23 ' A' ' 16' ' ' ILE . . . -65.53 -34.16 88.34 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.559 ' O ' HG22 ' A' ' 21' ' ' THR . 13.2 tpt180 -61.03 -44.66 97.08 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.716 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -63.64 -33.74 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.778 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.4 tp -57.86 -34.96 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.568 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 18' ' ' ARG . 1.6 t -50.28 140.0 13.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.337 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.49 0.02 86.17 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.047 0 O-C-N 122.525 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.676 ' H ' HD12 ' A' ' 2' ' ' ILE . 2.1 mp -52.62 -41.4 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.283 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.635 ' H ' ' CD2' ' A' ' 3' ' ' HIS . 2.0 p80 -70.4 -45.57 65.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.452 ' CE1' HH21 ' A' ' 7' ' ' ARG . 1.6 m-70 -47.88 -52.24 20.0 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -176.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.408 HG23 ' N ' ' A' ' 6' ' ' PHE . 6.8 tt -60.81 -45.66 97.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.358 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.408 ' N ' HG23 ' A' ' 5' ' ' ILE . 5.9 m-85 -67.3 -46.34 73.84 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.742 0.306 . . . . 0.0 111.089 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.525 HH21 ' HD1' ' A' ' 3' ' ' HIS . 80.2 mtm180 -67.2 -35.14 78.99 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.384 -179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.65 -37.46 94.26 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.38 -44.78 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.147 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.9 t -66.81 -45.2 88.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.816 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -66.99 -48.8 67.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.769 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.42 ' O ' ' OG ' ' A' ' 15' ' ' SER . . . -65.83 -32.52 74.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.77 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.469 ' O ' HG22 ' A' ' 16' ' ' ILE . . . -75.96 -53.58 5.71 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -50.06 -33.47 18.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.876 0.37 . . . . 0.0 110.768 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 12' ' ' ALA . 98.2 p -62.52 -33.15 74.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 13' ' ' GLY . 2.1 tp -52.01 -39.5 26.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.532 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.61 -43.38 92.25 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -65.88 -43.94 86.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.821 0.344 . . . . 0.0 110.913 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 84.8 t80 -60.08 -37.45 79.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.9 mt -60.04 -38.54 83.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.759 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.411 ' OG1' ' N ' ' A' ' 22' ' ' GLY . 32.2 p -50.09 -62.51 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.436 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' N ' ' OG1' ' A' ' 21' ' ' THR . . . -146.54 -0.01 0.74 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.543 ' N ' ' O ' ' A' ' 19' ' ' PHE . . . . . . . . 0 C--N 1.359 1.018 0 O-C-N 122.49 -0.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.23 -39.73 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.481 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.622 ' H ' ' CD2' ' A' ' 3' ' ' HIS . 6.5 p80 -66.22 -42.49 88.64 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.332 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -48.97 -52.8 22.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -176.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 6' ' ' PHE . 11.2 tt -67.76 -46.41 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.388 -0.525 . . . . 0.0 112.154 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.46 ' N ' HG23 ' A' ' 5' ' ' ILE . 12.2 m-85 -69.87 -49.8 48.78 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.002 0.429 . . . . 0.0 111.334 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -61.6 -35.07 76.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.216 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.41 -34.02 83.51 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.9 mm -63.88 -44.08 97.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.2 -45.74 92.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.717 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -66.54 -46.86 74.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.975 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.41 -31.03 72.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.34 -34.93 24.74 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -53.78 -36.5 62.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.327 -0.437 . . . . 0.0 110.944 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.1 m -61.12 -42.61 98.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.951 0.405 . . . . 0.0 110.686 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.694 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.8 mp -64.71 -44.35 96.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.46 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.07 -41.45 98.5 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -65.08 -44.53 88.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.86 0.362 . . . . 0.0 110.519 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -64.5 -35.49 81.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.204 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.14 -40.74 94.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.348 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.6 m -62.06 -46.24 89.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.767 0.318 . . . . 0.0 110.595 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.44 -0.01 0.03 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.031 0 O-C-N 122.545 -0.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.4 t80 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.5 pt -68.03 -34.92 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.674 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -55.3 -41.32 72.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.246 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -51.68 -38.98 57.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -177.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.9 mm -61.77 -48.49 88.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.618 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -66.74 -46.35 75.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.055 0.455 . . . . 0.0 110.53 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -64.89 -35.82 82.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.238 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.78 -34.06 87.38 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.06 -43.75 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.51 -44.53 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.527 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -63.57 -47.51 81.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.712 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.04 -27.03 66.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.477 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.18 -39.52 62.47 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.97 -39.29 93.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.74 -0.73 . . . . 0.0 111.695 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -62.64 -47.31 84.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.903 0.382 . . . . 0.0 111.095 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.3 pt -70.87 -41.7 77.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.658 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.98 -34.85 90.98 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.71 -44.31 96.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.99 0.424 . . . . 0.0 110.159 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -62.16 -35.94 80.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.52 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.56 -40.37 82.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.444 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.3 p -59.72 -44.64 93.64 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.24 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.03 -0.02 74.5 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.058 0 O-C-N 122.472 -0.428 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 18.8 t80 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 36.9 mm -65.67 -41.85 91.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.605 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -51.99 -42.01 62.63 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.283 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -50.94 -37.98 47.61 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.6 mt -62.0 -48.53 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.091 0.472 . . . . 0.0 110.517 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -70.28 -38.86 75.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.783 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -65.0 -37.72 88.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.237 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.01 -37.76 92.28 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.72 -49.58 83.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.934 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 11' ' ' HIS . 28.5 m -67.35 -40.0 83.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.908 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.405 ' N ' HG23 ' A' ' 10' ' ' VAL . 86.1 t60 -66.51 -46.25 76.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 110.627 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' OG ' ' A' ' 15' ' ' SER . . . -60.47 -24.33 65.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.095 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.2 -43.32 32.8 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.7 mmt180 -58.09 -34.73 70.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.197 -0.502 . . . . 0.0 110.483 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 12' ' ' ALA . 34.9 p -63.75 -34.47 77.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.835 0.35 . . . . 0.0 110.59 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.9 mm -61.76 -48.53 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.088 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.61 -43.0 99.44 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.9 tpt85 -66.0 -43.84 86.55 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -61.18 -36.26 79.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.421 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.4 tp -58.95 -37.08 75.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.161 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.8 m -60.31 -45.74 92.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.579 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.51 0.1 51.12 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.029 0 O-C-N 122.492 -0.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 3' ' ' HIS . 20.4 tt -62.88 -39.77 86.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.473 ' N ' HG23 ' A' ' 2' ' ' ILE . 84.4 m-70 -54.54 -42.22 70.65 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -49.58 -39.84 36.59 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.43 -46.56 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.582 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -70.79 -41.25 71.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.992 0.425 . . . . 0.0 110.943 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -67.72 -36.02 79.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.254 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.95 -36.78 93.72 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.96 -44.6 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 110.108 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.82 -44.47 85.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.732 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -65.38 -47.42 76.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.782 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.32 -26.8 68.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.769 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.1 -52.35 6.9 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -50.42 -34.09 23.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.471 -0.365 . . . . 0.0 110.15 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.5 t -62.34 -37.56 86.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.9 mm -62.83 -44.09 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.109 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.45 -35.08 91.21 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.91 -44.51 96.64 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -63.18 -35.46 80.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.489 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.39 -37.98 79.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.157 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.609 HG22 ' N ' ' A' ' 22' ' ' GLY . 58.0 m -50.05 166.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.563 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.609 ' N ' HG22 ' A' ' 21' ' ' THR . . . 154.84 -0.02 0.16 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.055 0 O-C-N 122.516 -0.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.18 -34.96 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.55 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -58.33 -44.16 88.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.921 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -49.2 -39.95 31.62 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.58 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.697 ' N ' HD12 ' A' ' 5' ' ' ILE . 2.0 mp -63.75 -47.35 91.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.799 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -70.69 -37.89 73.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -64.85 -35.96 82.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.077 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.42 -34.58 85.9 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.38 -45.37 96.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.41 -46.36 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.646 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -67.09 -45.35 77.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.26 -29.49 70.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.723 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.0 -46.46 22.48 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -61.38 -37.31 82.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.553 -0.323 . . . . 0.0 110.574 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.3 p -64.72 -42.76 95.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 0.0 110.812 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 87.2 mt -64.42 -44.3 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.398 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.96 -34.03 88.85 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -57.0 -45.9 82.69 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.433 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -64.11 -35.42 80.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.73 0.3 . . . . 0.0 110.624 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 tp -58.83 -40.04 82.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.434 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.755 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 40.7 p -50.2 -57.58 7.46 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.31 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.58 0.03 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.755 ' N ' ' O ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.033 0 O-C-N 122.537 -0.39 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_