data_2mcu_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 2mcu _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 ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.43 -46.21 80.82 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.439 ' CG2' ' N ' ' A' ' 16' ' ' ILE . 9.0 t -69.33 -43.36 73.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.885 0.374 . . . . 0.0 110.662 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.439 ' N ' ' CG2' ' A' ' 15' ' ' THR . 92.9 mt -63.59 -45.18 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -66.61 -37.27 84.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.719 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -63.27 -45.55 90.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.346 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.08 -44.6 83.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.48 -48.01 81.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.712 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.6 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.049 179.168 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.522 ' O ' ' ND1' ' A' ' 17' ' ' HIS . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.32 -43.4 97.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.751 0.31 . . . . 0.0 111.078 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 t -69.5 -39.91 77.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.687 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.58 -47.38 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.468 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.522 ' ND1' ' O ' ' A' ' 13' ' ' GLY . 73.7 m80 -66.69 -42.16 86.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.77 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -63.46 -46.82 84.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.604 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.2 mt -66.24 -44.64 83.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.0 t -67.07 -47.72 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.848 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 3.0 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.117 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -62.02 -45.29 94.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.64 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.9 m -66.75 -45.49 78.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.071 0.462 . . . . 0.0 110.6 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.5 -44.3 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.067 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -66.57 -35.33 79.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.934 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -59.09 -49.27 78.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.575 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.71 -43.29 89.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.977 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.48 -49.62 79.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.174 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.991 178.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -62.78 -44.98 94.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 0.0 110.504 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.1 m -67.47 -46.05 74.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.719 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.21 -45.32 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.316 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -66.45 -40.93 89.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.743 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.5 ttp85 -68.55 -45.27 72.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.492 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.77 -44.46 89.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.019 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.43 -47.72 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.5 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.518 179.861 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.53 ' O ' ' ND1' ' A' ' 17' ' ' HIS . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -62.98 -43.75 97.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.648 0.261 . . . . 0.0 110.643 -179.661 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.5 m -66.31 -46.2 77.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.962 0.411 . . . . 0.0 110.843 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.32 -46.16 93.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.594 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 13' ' ' GLY . 25.1 m80 -66.07 -42.29 89.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.786 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -64.29 -45.24 88.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.094 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.52 -45.24 84.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.82 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.1 t -65.55 -47.69 85.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.823 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 81.7 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.134 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.826 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.73 -43.01 99.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.516 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.9 m -66.49 -45.69 78.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.978 0.418 . . . . 0.0 110.648 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.09 -45.78 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.114 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -61.46 -37.17 82.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.61 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -70.49 -43.55 69.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.998 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.15 -51.44 61.18 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.979 0.419 . . . . 0.0 111.26 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 21' ' ' THR . 11.7 p -63.89 -47.88 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.216 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.477 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 3.2 m . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.9 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.807 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -54.51 -41.44 69.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.78 0.324 . . . . 0.0 110.417 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -65.36 -46.15 81.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.937 0.399 . . . . 0.0 111.042 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.496 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.6 mp -65.2 -45.83 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.987 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -64.75 -40.31 95.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -62.66 -46.28 88.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.187 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.23 -44.33 88.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.1 t -67.38 -46.85 82.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.758 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.0 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.002 179.298 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.732 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -62.78 -43.8 97.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.687 0.28 . . . . 0.0 110.595 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.9 m -65.52 -43.69 89.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.048 0.451 . . . . 0.0 110.793 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.91 -45.42 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.299 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.423 ' O ' ' OG1' ' A' ' 21' ' ' THR . 82.9 t60 -65.16 -44.66 87.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.807 0.337 . . . . 0.0 110.731 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.87 -45.1 75.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.829 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.86 -45.38 86.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.811 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.42 -47.16 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 77.4 p . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.49 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.495 ' O ' ' CD2' ' A' ' 17' ' ' HIS . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.3 -44.98 96.31 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.586 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -42.1 71.0 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.546 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.28 -45.67 95.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.521 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 68.6 m-70 -68.23 -38.65 82.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.6 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -61.4 -47.44 85.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.719 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.64 -43.85 83.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.897 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.9 t -66.45 -47.65 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 82.6 p . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.489 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.633 ' NZ ' ' NH2' ' A' ' 18' ' ' ARG . 4.3 tmtt? -60.73 -44.5 96.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.067 0.46 . . . . 0.0 109.809 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.8 m -65.23 -44.21 88.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.736 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.79 -44.94 99.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.898 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -64.62 -39.47 93.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.501 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.633 ' NH2' ' NZ ' ' A' ' 14' ' ' LYS . 60.0 ttm-85 -62.85 -45.5 92.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.224 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.9 tp -66.23 -46.1 78.35 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.788 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.7 t -66.74 -48.15 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.129 179.44 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.9 t80 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -70.42 -47.34 61.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.104 0.478 . . . . 0.0 110.263 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -65.01 -35.6 81.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.775 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -66.36 -46.36 77.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 110.594 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.23 -43.92 97.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.603 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -66.29 -39.57 89.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.084 0.468 . . . . 0.0 110.752 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -57.99 -40.64 81.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.543 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.48 -33.37 81.12 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 9' ' ' ILE . 35.3 mm -63.89 -45.13 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.908 0.385 . . . . 0.0 110.112 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.4 t -61.86 -42.98 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.491 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -57.54 -41.13 80.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.393 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.5 t -60.01 -31.5 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.7 -31.96 52.03 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.43 -46.21 80.82 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.439 ' CG2' ' N ' ' A' ' 16' ' ' ILE . 9.0 t -69.33 -43.36 73.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.885 0.374 . . . . 0.0 110.662 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.439 ' N ' ' CG2' ' A' ' 15' ' ' THR . 92.9 mt -63.59 -45.18 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -66.61 -37.27 84.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.719 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 73.1 ttt180 -63.27 -45.55 90.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.346 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.08 -44.6 83.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.48 -48.01 81.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.712 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.6 m -74.88 -1.61 23.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.049 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.53 -0.02 71.39 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.549 ' N ' ' O ' ' A' ' 18' ' ' ARG . . . . . . . . 0 C--N 1.36 1.055 0 O-C-N 122.505 -0.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.0 t80 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -70.33 -46.57 63.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.076 0.465 . . . . 0.0 110.36 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -65.5 -36.44 83.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.856 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -65.55 -45.62 82.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.902 0.382 . . . . 0.0 110.595 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.406 HD13 HG22 ' A' ' 5' ' ' ILE . 95.8 mt -64.88 -43.94 96.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.958 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -63.21 -46.29 87.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.031 0.443 . . . . 0.0 110.944 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.63 -38.87 92.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.058 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.85 -34.8 90.86 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.4 mm -65.34 -44.48 94.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 110.33 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.48 -40.35 88.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.66 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -56.08 -41.79 75.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.324 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -57.9 -29.9 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.969 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.522 ' O ' ' ND1' ' A' ' 17' ' ' HIS . . . -75.68 -31.09 56.98 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.32 -43.4 97.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.751 0.31 . . . . 0.0 111.078 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 t -69.5 -39.91 77.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.687 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.58 -47.38 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.468 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.522 ' ND1' ' O ' ' A' ' 13' ' ' GLY . 73.7 m80 -66.69 -42.16 86.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.77 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -63.46 -46.82 84.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.604 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.2 mt -66.24 -44.64 83.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.0 t -67.07 -47.72 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.848 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 3.0 m -74.83 -1.43 22.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.117 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.76 0.07 30.19 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.043 0 O-C-N 122.497 -0.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.417 ' CD2' ' N ' ' A' ' 2' ' ' PHE . 52.0 p90 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.625 ' CZ ' ' CE1' ' A' ' 6' ' ' PHE . 51.8 t80 -68.08 -50.84 52.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.103 0.478 . . . . 0.0 110.161 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -61.82 -34.75 76.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.789 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -65.5 -44.9 85.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.658 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.8 mt -63.64 -43.4 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.55 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.625 ' CE1' ' CZ ' ' A' ' 2' ' ' PHE . 9.4 m-85 -69.07 -34.53 75.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.461 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -56.04 -42.99 77.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.594 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.91 -33.68 86.28 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.9 mm -65.76 -44.33 93.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.031 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.4 t -61.04 -42.47 93.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.48 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -57.88 -41.85 83.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.95 -46.05 97.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.151 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.75 -34.68 89.48 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -62.02 -45.29 94.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.64 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.9 m -66.75 -45.49 78.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.071 0.462 . . . . 0.0 110.6 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.5 -44.3 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.067 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -66.57 -35.33 79.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.934 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 76.4 ttt180 -59.09 -49.27 78.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.575 -179.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.71 -43.29 89.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.977 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.48 -49.62 79.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.174 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.446 HG22 ' HN2' ' A' ' 23' ' ' NH2 . 2.7 t -75.26 -0.29 19.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.991 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.83 -0.02 73.26 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.55 ' N ' ' O ' ' A' ' 18' ' ' ARG . . . . . . . . 0 C--N 1.36 1.036 0 O-C-N 122.43 -0.453 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 90.2 t80 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -71.13 -51.0 27.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.477 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -53.2 -33.21 51.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.822 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -61.95 -46.35 89.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.654 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.2 mm -64.94 -43.95 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.775 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -68.35 -36.22 78.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.696 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -60.31 -41.86 94.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.476 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.28 -35.68 63.68 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.7 -50.4 78.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.111 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.97 -32.95 60.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.379 . . . . 0.0 111.038 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' LYS . 86.5 t60 -54.06 -50.37 66.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 m -45.48 -29.68 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.469 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.47 -36.12 76.72 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 11' ' ' HIS . 38.2 ttmt -62.78 -44.98 94.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 0.0 110.504 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.1 m -67.47 -46.05 74.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.719 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.21 -45.32 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.316 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -66.45 -40.93 89.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.743 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.5 ttp85 -68.55 -45.27 72.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.492 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.77 -44.46 89.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.019 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.43 -47.72 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.5 p -74.34 129.72 38.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.518 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -159.61 0.01 0.08 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.062 0 O-C-N 122.459 -0.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.525 ' CD2' ' N ' ' A' ' 2' ' ' PHE . 49.5 p90 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.525 ' N ' ' CD2' ' A' ' 1' ' ' PHE . 84.5 t80 -69.43 -50.95 40.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.162 0.506 . . . . 0.0 110.147 179.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -62.9 -36.24 82.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.218 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -65.4 -46.99 77.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.956 0.407 . . . . 0.0 110.542 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.72 -43.44 98.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.53 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -67.49 -34.74 77.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.1 0.476 . . . . 0.0 110.741 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -55.04 -42.23 72.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.627 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.6 -34.61 89.51 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.5 mm -65.8 -44.94 92.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.894 0.378 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 81.6 t -63.96 -35.18 72.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.039 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -57.23 -46.99 82.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.336 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.2 m -46.99 -29.85 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.79 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.53 ' O ' ' ND1' ' A' ' 17' ' ' HIS . . . -67.65 -41.12 90.08 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -62.98 -43.75 97.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.648 0.261 . . . . 0.0 110.643 -179.661 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.5 m -66.31 -46.2 77.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.962 0.411 . . . . 0.0 110.843 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.32 -46.16 93.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.594 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 13' ' ' GLY . 25.1 m80 -66.07 -42.29 89.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.786 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -64.29 -45.24 88.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.094 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.52 -45.24 84.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.82 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.1 t -65.55 -47.69 85.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.823 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 81.7 p -75.39 -3.15 31.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.134 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.91 0.01 39.85 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.029 0 O-C-N 122.544 -0.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.6 t80 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -71.03 -44.92 64.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.067 0.46 . . . . 0.0 110.167 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.682 ' HE2' HH21 ' A' ' 7' ' ' ARG . 77.1 t60 -64.94 -36.49 84.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.84 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -64.65 -48.91 73.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.006 0.432 . . . . 0.0 110.32 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.4 mm -64.63 -43.59 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.305 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -63.93 -41.28 97.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.166 0.508 . . . . 0.0 110.421 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.682 HH21 ' HE2' ' A' ' 3' ' ' HIS . 41.8 ttm180 -59.68 -41.14 90.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.605 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.13 -38.97 73.2 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.5 -51.4 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.3 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -64.16 -33.96 65.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 0.0 110.693 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -58.34 -47.66 83.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.291 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.2 t -45.73 -36.25 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.438 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.39 -36.89 93.74 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.73 -43.01 99.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.516 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.9 m -66.49 -45.69 78.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.978 0.418 . . . . 0.0 110.648 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.09 -45.78 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.114 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -61.46 -37.17 82.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.61 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -70.49 -43.55 69.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.998 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tt -65.15 -51.44 61.18 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.979 0.419 . . . . 0.0 111.26 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 21' ' ' THR . 11.7 p -63.89 -47.88 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.216 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.477 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 3.2 m -75.08 -1.91 25.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.9 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.81 0.07 4.62 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.429 ' HN2' ' C ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.064 0 O-C-N 122.468 -0.431 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.546 ' H2 ' ' CE1' ' A' ' 3' ' ' HIS . 72.4 t80 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.617 ' CE1' ' CE1' ' A' ' 6' ' ' PHE . 80.7 t80 -66.52 -49.72 65.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.321 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.546 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 48.6 p-80 -65.84 -34.5 78.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.778 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -66.25 -46.73 76.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.781 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.73 -43.6 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.823 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.617 ' CE1' ' CE1' ' A' ' 2' ' ' PHE . 7.2 m-85 -67.93 -37.35 81.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -61.99 -42.38 99.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.833 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.48 -36.62 93.39 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.62 -44.22 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.997 0.427 . . . . 0.0 110.199 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.1 t -62.03 -40.29 86.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.606 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -57.66 -43.14 84.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.355 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.12 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.238 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.22 -29.67 74.64 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -54.51 -41.44 69.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.78 0.324 . . . . 0.0 110.417 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -65.36 -46.15 81.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.937 0.399 . . . . 0.0 111.042 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.496 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.6 mp -65.2 -45.83 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.987 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -64.75 -40.31 95.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -62.66 -46.28 88.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.187 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.23 -44.33 88.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.1 t -67.38 -46.85 82.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.758 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.565 ' C ' ' HN2' ' A' ' 23' ' ' NH2 . 79.0 m -75.05 -1.85 24.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.002 179.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.78 0.04 0.36 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.565 ' HN2' ' C ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.051 0 O-C-N 122.524 -0.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -70.56 -48.58 54.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.432 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -60.89 -34.96 75.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.681 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -66.47 -45.89 78.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.16 -44.2 97.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.477 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -64.41 -42.5 96.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.477 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -38.29 90.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.68 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.69 -34.86 90.86 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.96 -43.94 96.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.931 0.396 . . . . 0.0 110.385 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.9 t -61.74 -42.74 95.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.603 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -57.82 -41.85 83.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.61 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.5 -45.18 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.286 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.28 -36.61 92.99 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -62.78 -43.8 97.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.687 0.28 . . . . 0.0 110.595 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.9 m -65.52 -43.69 89.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.048 0.451 . . . . 0.0 110.793 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.91 -45.42 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.299 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.423 ' O ' ' OG1' ' A' ' 21' ' ' THR . 82.9 t60 -65.16 -44.66 87.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.807 0.337 . . . . 0.0 110.731 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.87 -45.1 75.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.829 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.86 -45.38 86.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.811 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.42 -47.16 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.557 ' C ' ' HN2' ' A' ' 23' ' ' NH2 . 77.4 p -74.31 130.21 39.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.49 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.53 0.06 0.19 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.557 ' HN2' ' C ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.061 0 O-C-N 122.47 -0.43 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -70.46 -51.47 28.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.101 0.477 . . . . 0.0 110.415 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -55.45 -34.18 64.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.849 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -66.48 -40.72 89.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.353 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.421 HD12 HG23 ' A' ' 5' ' ' ILE . 96.0 mt -64.08 -43.57 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -65.57 -37.05 85.56 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.122 0.486 . . . . 0.0 110.49 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -69.87 -38.7 76.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.665 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.2 -40.96 98.47 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.033 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.0 pt -72.2 -40.99 66.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.82 0.343 . . . . 0.0 110.301 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.8 t -61.72 -42.44 94.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.441 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -57.37 -46.66 83.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.963 0.411 . . . . 0.0 110.408 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.3 t -49.67 -29.13 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.17 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.495 ' O ' ' CD2' ' A' ' 17' ' ' HIS . . . -76.21 -30.69 56.7 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.3 -44.98 96.31 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.586 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -42.1 71.0 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.546 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.28 -45.67 95.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.521 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 68.6 m-70 -68.23 -38.65 82.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.6 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -61.4 -47.44 85.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.719 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.64 -43.85 83.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.897 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.9 t -66.45 -47.65 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 17' ' ' HIS . 82.6 p -74.14 132.52 42.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.489 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.58 0.03 0.03 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.039 0 O-C-N 122.508 -0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -71.2 -51.18 26.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.408 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -57.08 -34.22 68.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.89 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -66.06 -44.02 85.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.434 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.421 HD12 HG23 ' A' ' 5' ' ' ILE . 96.8 mt -63.99 -44.05 97.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.734 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -69.12 -36.82 77.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.98 0.419 . . . . 0.0 110.822 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -58.85 -43.38 90.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.607 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.58 -38.84 78.89 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.5 mt -65.73 -45.46 91.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.859 0.362 . . . . 0.0 110.51 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.3 t -64.96 -33.68 65.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.201 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -55.51 -47.67 75.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.073 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 m -50.09 -29.88 6.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.9 0.381 . . . . 0.0 110.494 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.55 -34.87 56.47 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.633 ' NZ ' ' NH2' ' A' ' 18' ' ' ARG . 4.3 tmtt? -60.73 -44.5 96.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.067 0.46 . . . . 0.0 109.809 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.8 m -65.23 -44.21 88.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.736 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.79 -44.94 99.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.898 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -64.62 -39.47 93.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.501 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.633 ' NH2' ' NZ ' ' A' ' 14' ' ' LYS . 60.0 ttm-85 -62.85 -45.5 92.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.224 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.9 tp -66.23 -46.1 78.35 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.788 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.7 t -66.74 -48.15 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.7 m -75.01 -1.86 24.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.129 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.89 111.53 0.46 Allowed Glycine 0 C--O 1.22 -0.722 0 CA-C-O 117.894 -1.504 . . . . 0.0 110.777 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.056 0 O-C-N 125.593 1.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.43 -46.21 80.82 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.49 HG23 ' N ' ' A' ' 16' ' ' ILE . 9.0 t -69.33 -43.36 73.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.885 0.374 . . . . 0.0 110.662 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.49 ' N ' HG23 ' A' ' 15' ' ' THR . 92.9 mt -63.59 -45.18 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.54 ' CE1' ' HG1' ' A' ' 21' ' ' THR . 83.7 t60 -66.61 -37.27 84.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.719 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -63.27 -45.55 90.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.346 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.08 -44.6 83.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.48 -48.01 81.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.712 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.54 ' HG1' ' CE1' ' A' ' 17' ' ' HIS . 53.6 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.049 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.32 -43.4 97.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.751 0.31 . . . . 0.0 111.078 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 15' ' ' THR . 1.4 t -69.5 -39.91 77.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.687 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 20' ' ' VAL . 84.1 mt -62.58 -47.38 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.468 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -66.69 -42.16 86.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.77 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -63.46 -46.82 84.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.604 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.2 mt -66.24 -44.64 83.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 16' ' ' ILE . 76.0 t -67.07 -47.72 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.848 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.117 179.185 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -62.02 -45.29 94.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.64 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.9 m -66.75 -45.49 78.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.071 0.462 . . . . 0.0 110.6 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.5 -44.3 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.067 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.447 ' O ' HG22 ' A' ' 21' ' ' THR . 55.6 t-80 -66.57 -35.33 79.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.934 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -59.09 -49.27 78.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.575 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.71 -43.29 89.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.977 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.48 -49.62 79.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.174 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 17' ' ' HIS . 2.7 t . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.991 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -62.78 -44.98 94.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 0.0 110.504 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.1 m -67.47 -46.05 74.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.719 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 20' ' ' VAL . 97.8 mt -64.21 -45.32 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.316 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -66.45 -40.93 89.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.743 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.5 ttp85 -68.55 -45.27 72.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.492 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.77 -44.46 89.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.019 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 16' ' ' ILE . 60.4 t -65.43 -47.72 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.5 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.518 179.861 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.53 ' O ' ' ND1' ' A' ' 17' ' ' HIS . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -62.98 -43.75 97.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.648 0.261 . . . . 0.0 110.643 -179.661 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.5 m -66.31 -46.2 77.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.962 0.411 . . . . 0.0 110.843 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 20' ' ' VAL . 91.3 mt -64.32 -46.16 93.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.594 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 13' ' ' GLY . 25.1 m80 -66.07 -42.29 89.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.786 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -64.29 -45.24 88.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.094 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.52 -45.24 84.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.82 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 16' ' ' ILE . 74.1 t -65.55 -47.69 85.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.823 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.7 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.134 179.345 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.826 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.73 -43.01 99.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.516 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.9 m -66.49 -45.69 78.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.978 0.418 . . . . 0.0 110.648 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.468 ' O ' HG12 ' A' ' 20' ' ' VAL . 97.0 mt -63.09 -45.78 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.114 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -61.46 -37.17 82.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.61 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -70.49 -43.55 69.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.998 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 19' ' ' LEU . 3.9 tt -65.15 -51.44 61.18 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.979 0.419 . . . . 0.0 111.26 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.618 HG13 ' N ' ' A' ' 21' ' ' THR . 11.7 p -63.89 -47.88 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.216 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.618 ' N ' HG13 ' A' ' 20' ' ' VAL . 3.2 m . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.9 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.807 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -54.51 -41.44 69.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.78 0.324 . . . . 0.0 110.417 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -65.36 -46.15 81.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.937 0.399 . . . . 0.0 111.042 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.58 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.6 mp -65.2 -45.83 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.987 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -64.75 -40.31 95.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -62.66 -46.28 88.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.187 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.23 -44.33 88.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.1 t -67.38 -46.85 82.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.758 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.547 ' O ' HG22 ' A' ' 21' ' ' THR . 79.0 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.002 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.732 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -62.78 -43.8 97.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.687 0.28 . . . . 0.0 110.595 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.9 m -65.52 -43.69 89.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.048 0.451 . . . . 0.0 110.793 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 20' ' ' VAL . 95.8 mt -62.91 -45.42 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.299 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -65.16 -44.66 87.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.807 0.337 . . . . 0.0 110.731 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.87 -45.1 75.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.829 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.86 -45.38 86.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.811 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 16' ' ' ILE . 54.7 t -65.42 -47.16 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.4 p . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.49 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.3 -44.98 96.31 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.586 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.424 ' H ' HG22 ' A' ' 15' ' ' THR . 0.0 OUTLIER -70.72 -42.1 71.0 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.546 -179.64 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.44 ' O ' HG23 ' A' ' 20' ' ' VAL . 95.4 mt -64.28 -45.67 95.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.521 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.417 ' O ' HG23 ' A' ' 21' ' ' THR . 35.4 m80 -68.23 -38.65 82.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.6 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -61.4 -47.44 85.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.719 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.64 -43.85 83.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.897 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 16' ' ' ILE . 71.9 t -66.45 -47.65 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.151 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 17' ' ' HIS . 82.6 p . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.489 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.633 ' NZ ' ' NH2' ' A' ' 18' ' ' ARG . 4.3 tmtt? -60.73 -44.5 96.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.067 0.46 . . . . 0.0 109.809 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.8 m -65.23 -44.21 88.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.736 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.79 -44.94 99.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.898 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -64.62 -39.47 93.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.501 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.633 ' NH2' ' NZ ' ' A' ' 14' ' ' LYS . 60.0 ttm-85 -62.85 -45.5 92.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.224 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.9 tp -66.23 -46.1 78.35 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.788 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.7 t -66.74 -48.15 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.472 ' O ' HG22 ' A' ' 21' ' ' THR . 23.7 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.129 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.9 t80 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -70.42 -47.34 61.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.104 0.478 . . . . 0.0 110.263 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -65.01 -35.6 81.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.775 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -66.36 -46.36 77.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 110.594 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.23 -43.92 97.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.603 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -66.29 -39.57 89.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.084 0.468 . . . . 0.0 110.752 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -57.99 -40.64 81.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.543 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.48 -33.37 81.12 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.3 mm -63.89 -45.13 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.908 0.385 . . . . 0.0 110.112 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.4 t -61.86 -42.98 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.491 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -57.54 -41.13 80.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.393 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.5 t -60.01 -31.5 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.7 -31.96 52.03 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.43 -46.21 80.82 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.49 HG23 ' N ' ' A' ' 16' ' ' ILE . 9.0 t -69.33 -43.36 73.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.885 0.374 . . . . 0.0 110.662 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.49 ' N ' HG23 ' A' ' 15' ' ' THR . 92.9 mt -63.59 -45.18 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.54 ' CE1' ' HG1' ' A' ' 21' ' ' THR . 83.7 t60 -66.61 -37.27 84.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.719 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 73.1 ttt180 -63.27 -45.55 90.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.346 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.08 -44.6 83.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.48 -48.01 81.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.712 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.54 ' HG1' ' CE1' ' A' ' 17' ' ' HIS . 53.6 m -74.88 -1.61 23.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.049 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.53 -0.02 71.39 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.549 ' N ' ' O ' ' A' ' 18' ' ' ARG . . . . . . . . 0 C--N 1.36 1.055 0 O-C-N 122.505 -0.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.0 t80 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -70.33 -46.57 63.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.076 0.465 . . . . 0.0 110.36 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -65.5 -36.44 83.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.856 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -65.55 -45.62 82.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.902 0.382 . . . . 0.0 110.595 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.88 -43.94 96.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.958 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -63.21 -46.29 87.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.031 0.443 . . . . 0.0 110.944 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.63 -38.87 92.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.058 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.85 -34.8 90.86 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.4 mm -65.34 -44.48 94.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 110.33 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.48 -40.35 88.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.66 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -56.08 -41.79 75.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.324 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -57.9 -29.9 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.969 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.68 -31.09 56.98 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.32 -43.4 97.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.751 0.31 . . . . 0.0 111.078 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 15' ' ' THR . 1.4 t -69.5 -39.91 77.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.687 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 20' ' ' VAL . 84.1 mt -62.58 -47.38 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.468 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -66.69 -42.16 86.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.77 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -63.46 -46.82 84.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.604 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.2 mt -66.24 -44.64 83.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 16' ' ' ILE . 76.0 t -67.07 -47.72 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.848 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 m -74.83 -1.43 22.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.117 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.76 0.07 30.19 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.043 0 O-C-N 122.497 -0.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.417 ' CD2' ' N ' ' A' ' 2' ' ' PHE . 52.0 p90 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.625 ' CZ ' ' CE1' ' A' ' 6' ' ' PHE . 51.8 t80 -68.08 -50.84 52.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.103 0.478 . . . . 0.0 110.161 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -61.82 -34.75 76.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.789 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -65.5 -44.9 85.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.658 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.8 mt -63.64 -43.4 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.55 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.625 ' CE1' ' CZ ' ' A' ' 2' ' ' PHE . 9.4 m-85 -69.07 -34.53 75.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.461 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -56.04 -42.99 77.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.594 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.91 -33.68 86.28 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.9 mm -65.76 -44.33 93.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.031 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.4 t -61.04 -42.47 93.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.48 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -57.88 -41.85 83.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.95 -46.05 97.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.151 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.75 -34.68 89.48 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -62.02 -45.29 94.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.64 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.9 m -66.75 -45.49 78.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.071 0.462 . . . . 0.0 110.6 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.5 -44.3 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.067 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.447 ' O ' HG22 ' A' ' 21' ' ' THR . 55.6 t-80 -66.57 -35.33 79.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.934 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 76.4 ttt180 -59.09 -49.27 78.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.575 -179.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.71 -43.29 89.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.977 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.48 -49.62 79.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.174 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 17' ' ' HIS . 2.7 t -75.26 -0.29 19.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.991 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.83 -0.02 73.26 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.55 ' N ' ' O ' ' A' ' 18' ' ' ARG . . . . . . . . 0 C--N 1.36 1.036 0 O-C-N 122.43 -0.453 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 90.2 t80 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -71.13 -51.0 27.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.477 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -53.2 -33.21 51.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.822 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -61.95 -46.35 89.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.654 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.2 mm -64.94 -43.95 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.775 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -68.35 -36.22 78.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.696 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -60.31 -41.86 94.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.476 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.28 -35.68 63.68 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.536 ' O ' HG22 ' A' ' 12' ' ' VAL . 4.6 mm -63.7 -50.4 78.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.111 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.97 -32.95 60.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.379 . . . . 0.0 111.038 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' LYS . 86.5 t60 -54.06 -50.37 66.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 9' ' ' ILE . 1.3 m -45.48 -29.68 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.469 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.47 -36.12 76.72 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 11' ' ' HIS . 38.2 ttmt -62.78 -44.98 94.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 0.0 110.504 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.1 m -67.47 -46.05 74.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.719 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 20' ' ' VAL . 97.8 mt -64.21 -45.32 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.316 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -66.45 -40.93 89.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.743 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.5 ttp85 -68.55 -45.27 72.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.492 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.77 -44.46 89.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.019 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 16' ' ' ILE . 60.4 t -65.43 -47.72 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.5 p -74.34 129.72 38.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.518 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -159.61 0.01 0.08 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.062 0 O-C-N 122.459 -0.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.525 ' CD2' ' N ' ' A' ' 2' ' ' PHE . 49.5 p90 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.525 ' N ' ' CD2' ' A' ' 1' ' ' PHE . 84.5 t80 -69.43 -50.95 40.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.162 0.506 . . . . 0.0 110.147 179.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -62.9 -36.24 82.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.218 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -65.4 -46.99 77.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.956 0.407 . . . . 0.0 110.542 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.72 -43.44 98.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.53 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -67.49 -34.74 77.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.1 0.476 . . . . 0.0 110.741 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -55.04 -42.23 72.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.627 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.6 -34.61 89.51 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.57 ' O ' HG22 ' A' ' 12' ' ' VAL . 39.5 mm -65.8 -44.94 92.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.894 0.378 . . . . 0.0 110.284 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 81.6 t -63.96 -35.18 72.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.039 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -57.23 -46.99 82.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.336 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 9' ' ' ILE . 1.2 m -46.99 -29.85 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.79 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.53 ' O ' ' ND1' ' A' ' 17' ' ' HIS . . . -67.65 -41.12 90.08 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -62.98 -43.75 97.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.648 0.261 . . . . 0.0 110.643 -179.661 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.5 m -66.31 -46.2 77.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.962 0.411 . . . . 0.0 110.843 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 20' ' ' VAL . 91.3 mt -64.32 -46.16 93.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.594 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 13' ' ' GLY . 25.1 m80 -66.07 -42.29 89.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.786 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -64.29 -45.24 88.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.094 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.52 -45.24 84.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.82 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 16' ' ' ILE . 74.1 t -65.55 -47.69 85.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.823 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.7 p -75.39 -3.15 31.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.134 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.91 0.01 39.85 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.029 0 O-C-N 122.544 -0.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.6 t80 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -71.03 -44.92 64.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.067 0.46 . . . . 0.0 110.167 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.511 ' CD2' HH21 ' A' ' 7' ' ' ARG . 77.1 t60 -64.94 -36.49 84.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.84 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -64.65 -48.91 73.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.006 0.432 . . . . 0.0 110.32 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.4 mm -64.63 -43.59 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.305 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -63.93 -41.28 97.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.166 0.508 . . . . 0.0 110.421 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.511 HH21 ' CD2' ' A' ' 3' ' ' HIS . 41.8 ttm180 -59.68 -41.14 90.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.605 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.13 -38.97 73.2 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.5 -51.4 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.3 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -64.16 -33.96 65.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 0.0 110.693 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -58.34 -47.66 83.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.291 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.2 t -45.73 -36.25 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.438 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.39 -36.89 93.74 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.73 -43.01 99.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.516 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.9 m -66.49 -45.69 78.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.978 0.418 . . . . 0.0 110.648 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.468 ' O ' HG12 ' A' ' 20' ' ' VAL . 97.0 mt -63.09 -45.78 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.114 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -61.46 -37.17 82.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.61 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -70.49 -43.55 69.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.998 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 19' ' ' LEU . 3.9 tt -65.15 -51.44 61.18 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.979 0.419 . . . . 0.0 111.26 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.618 HG13 ' N ' ' A' ' 21' ' ' THR . 11.7 p -63.89 -47.88 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.216 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.618 ' N ' HG13 ' A' ' 20' ' ' VAL . 3.2 m -75.08 -1.91 25.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.9 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.81 0.07 4.62 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.064 0 O-C-N 122.468 -0.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.426 ' CZ ' HD11 ' A' ' 5' ' ' ILE . 72.4 t80 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.617 ' CE1' ' CE1' ' A' ' 6' ' ' PHE . 80.7 t80 -66.52 -49.72 65.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.321 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.6 p-80 -65.84 -34.5 78.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.778 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -66.25 -46.73 76.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.781 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.426 HD11 ' CZ ' ' A' ' 1' ' ' PHE . 88.1 mt -63.73 -43.6 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.823 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.617 ' CE1' ' CE1' ' A' ' 2' ' ' PHE . 7.2 m-85 -67.93 -37.35 81.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -61.99 -42.38 99.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.833 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.48 -36.62 93.39 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.62 -44.22 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.997 0.427 . . . . 0.0 110.199 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.1 t -62.03 -40.29 86.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.606 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -57.66 -43.14 84.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.355 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.12 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.238 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.22 -29.67 74.64 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -54.51 -41.44 69.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.78 0.324 . . . . 0.0 110.417 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -65.36 -46.15 81.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.937 0.399 . . . . 0.0 111.042 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.58 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.6 mp -65.2 -45.83 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.987 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -64.75 -40.31 95.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -62.66 -46.28 88.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.187 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.23 -44.33 88.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.1 t -67.38 -46.85 82.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.758 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.547 ' O ' HG22 ' A' ' 21' ' ' THR . 79.0 m -75.05 -1.85 24.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.002 179.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.78 0.04 0.36 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.43 ' N ' ' C ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.051 0 O-C-N 122.524 -0.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -70.56 -48.58 54.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.432 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -60.89 -34.96 75.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.681 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -66.47 -45.89 78.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.16 -44.2 97.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.477 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -64.41 -42.5 96.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.477 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -38.29 90.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.68 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.69 -34.86 90.86 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.96 -43.94 96.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.931 0.396 . . . . 0.0 110.385 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.9 t -61.74 -42.74 95.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.603 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -57.82 -41.85 83.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.61 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.5 -45.18 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.286 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.28 -36.61 92.99 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -62.78 -43.8 97.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.687 0.28 . . . . 0.0 110.595 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.9 m -65.52 -43.69 89.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.048 0.451 . . . . 0.0 110.793 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 20' ' ' VAL . 95.8 mt -62.91 -45.42 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.299 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -65.16 -44.66 87.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.807 0.337 . . . . 0.0 110.731 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.87 -45.1 75.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.829 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.86 -45.38 86.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.811 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 16' ' ' ILE . 54.7 t -65.42 -47.16 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.433 ' C ' ' N ' ' A' ' 23' ' ' NH2 . 77.4 p -74.31 130.21 39.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.49 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.53 0.06 0.19 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.433 ' N ' ' C ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.061 0 O-C-N 122.47 -0.43 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -70.46 -51.47 28.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.101 0.477 . . . . 0.0 110.415 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -55.45 -34.18 64.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.849 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -66.48 -40.72 89.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.353 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.08 -43.57 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 10' ' ' VAL . 63.4 m-85 -65.57 -37.05 85.56 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.122 0.486 . . . . 0.0 110.49 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -69.87 -38.7 76.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.665 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.2 -40.96 98.47 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.033 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 9' ' ' ILE . 18.0 pt -72.2 -40.99 66.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.82 0.343 . . . . 0.0 110.301 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 6' ' ' PHE . 34.8 t -61.72 -42.44 94.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.441 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -57.37 -46.66 83.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.963 0.411 . . . . 0.0 110.408 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.3 t -49.67 -29.13 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.17 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.21 -30.69 56.7 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.3 -44.98 96.31 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.586 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.424 ' H ' HG22 ' A' ' 15' ' ' THR . 0.0 OUTLIER -70.72 -42.1 71.0 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.546 -179.64 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.44 ' O ' HG23 ' A' ' 20' ' ' VAL . 95.4 mt -64.28 -45.67 95.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.521 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.417 ' O ' HG23 ' A' ' 21' ' ' THR . 35.4 m80 -68.23 -38.65 82.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.6 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -61.4 -47.44 85.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.719 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.64 -43.85 83.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.897 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 16' ' ' ILE . 71.9 t -66.45 -47.65 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.151 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 17' ' ' HIS . 82.6 p -74.14 132.52 42.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.489 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.58 0.03 0.03 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.039 0 O-C-N 122.508 -0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -71.2 -51.18 26.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.408 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -57.08 -34.22 68.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.89 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -66.06 -44.02 85.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.434 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.99 -44.05 97.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.734 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -69.12 -36.82 77.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.98 0.419 . . . . 0.0 110.822 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -58.85 -43.38 90.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.607 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.58 -38.84 78.89 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.52 ' O ' HG22 ' A' ' 12' ' ' VAL . 95.5 mt -65.73 -45.46 91.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.859 0.362 . . . . 0.0 110.51 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.3 t -64.96 -33.68 65.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.201 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -55.51 -47.67 75.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.073 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 9' ' ' ILE . 1.1 m -50.09 -29.88 6.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.9 0.381 . . . . 0.0 110.494 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.55 -34.87 56.47 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.633 ' NZ ' ' NH2' ' A' ' 18' ' ' ARG . 4.3 tmtt? -60.73 -44.5 96.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.067 0.46 . . . . 0.0 109.809 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.8 m -65.23 -44.21 88.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.736 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.79 -44.94 99.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.898 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -64.62 -39.47 93.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.501 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.633 ' NH2' ' NZ ' ' A' ' 14' ' ' LYS . 60.0 ttm-85 -62.85 -45.5 92.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.224 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.9 tp -66.23 -46.1 78.35 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.788 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.7 t -66.74 -48.15 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.472 ' O ' HG22 ' A' ' 21' ' ' THR . 23.7 m -75.01 -1.86 24.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.129 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.89 111.53 0.46 Allowed Glycine 0 C--O 1.22 -0.722 0 CA-C-O 117.894 -1.504 . . . . 0.0 110.777 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.056 0 O-C-N 125.593 1.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.43 -46.21 80.82 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.49 HG23 ' N ' ' A' ' 16' ' ' ILE . 9.0 t -69.33 -43.36 73.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.885 0.374 . . . . 0.0 110.662 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.49 ' N ' HG23 ' A' ' 15' ' ' THR . 92.9 mt -63.59 -45.18 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.54 ' CE1' ' HG1' ' A' ' 21' ' ' THR . 83.7 t60 -66.61 -37.27 84.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.719 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -63.27 -45.55 90.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.346 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.08 -44.6 83.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.48 -48.01 81.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.712 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.54 ' HG1' ' CE1' ' A' ' 17' ' ' HIS . 53.6 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.049 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.701 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.32 -43.4 97.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.751 0.31 . . . . 0.0 111.078 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 15' ' ' THR . 1.4 t -69.5 -39.91 77.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.687 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 20' ' ' VAL . 84.1 mt -62.58 -47.38 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.468 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -66.69 -42.16 86.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.77 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -63.46 -46.82 84.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.604 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.2 mt -66.24 -44.64 83.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 16' ' ' ILE . 76.0 t -67.07 -47.72 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.848 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.117 179.185 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -62.02 -45.29 94.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.64 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.9 m -66.75 -45.49 78.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.071 0.462 . . . . 0.0 110.6 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.5 -44.3 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.067 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.447 ' O ' HG22 ' A' ' 21' ' ' THR . 55.6 t-80 -66.57 -35.33 79.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.934 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -59.09 -49.27 78.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.575 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.71 -43.29 89.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.977 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.48 -49.62 79.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.174 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 17' ' ' HIS . 2.7 t . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.991 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -62.78 -44.98 94.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 0.0 110.504 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.1 m -67.47 -46.05 74.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.719 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 20' ' ' VAL . 97.8 mt -64.21 -45.32 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.316 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -66.45 -40.93 89.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.743 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.5 ttp85 -68.55 -45.27 72.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.492 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.77 -44.46 89.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.019 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 16' ' ' ILE . 60.4 t -65.43 -47.72 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.5 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.518 179.861 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.53 ' O ' ' ND1' ' A' ' 17' ' ' HIS . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -62.98 -43.75 97.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.648 0.261 . . . . 0.0 110.643 -179.661 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.5 m -66.31 -46.2 77.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.962 0.411 . . . . 0.0 110.843 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 20' ' ' VAL . 91.3 mt -64.32 -46.16 93.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.594 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 13' ' ' GLY . 25.1 m80 -66.07 -42.29 89.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.786 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -64.29 -45.24 88.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.094 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.52 -45.24 84.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.82 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 16' ' ' ILE . 74.1 t -65.55 -47.69 85.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.823 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.7 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.134 179.345 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.826 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.73 -43.01 99.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.516 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.9 m -66.49 -45.69 78.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.978 0.418 . . . . 0.0 110.648 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.468 ' O ' HG12 ' A' ' 20' ' ' VAL . 97.0 mt -63.09 -45.78 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.114 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -61.46 -37.17 82.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.61 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -70.49 -43.55 69.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.998 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 19' ' ' LEU . 3.9 tt -65.15 -51.44 61.18 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.979 0.419 . . . . 0.0 111.26 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.618 HG13 ' N ' ' A' ' 21' ' ' THR . 11.7 p -63.89 -47.88 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.216 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.618 ' N ' HG13 ' A' ' 20' ' ' VAL . 3.2 m . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.9 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.807 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -54.51 -41.44 69.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.78 0.324 . . . . 0.0 110.417 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -65.36 -46.15 81.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.937 0.399 . . . . 0.0 111.042 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.58 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.6 mp -65.2 -45.83 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.987 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -64.75 -40.31 95.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -62.66 -46.28 88.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.187 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.23 -44.33 88.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.1 t -67.38 -46.85 82.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.758 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.547 ' O ' HG22 ' A' ' 21' ' ' THR . 79.0 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.002 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.732 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -62.78 -43.8 97.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.687 0.28 . . . . 0.0 110.595 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.9 m -65.52 -43.69 89.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.048 0.451 . . . . 0.0 110.793 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 20' ' ' VAL . 95.8 mt -62.91 -45.42 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.299 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -65.16 -44.66 87.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.807 0.337 . . . . 0.0 110.731 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.87 -45.1 75.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.829 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.86 -45.38 86.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.811 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 16' ' ' ILE . 54.7 t -65.42 -47.16 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.4 p . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.49 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.495 ' O ' ' CD2' ' A' ' 17' ' ' HIS . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.3 -44.98 96.31 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.586 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.424 ' H ' HG22 ' A' ' 15' ' ' THR . 0.0 OUTLIER -70.72 -42.1 71.0 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.546 -179.64 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.44 ' O ' HG23 ' A' ' 20' ' ' VAL . 95.4 mt -64.28 -45.67 95.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.521 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 68.6 m-70 -68.23 -38.65 82.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.6 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -61.4 -47.44 85.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.719 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.64 -43.85 83.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.897 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 16' ' ' ILE . 71.9 t -66.45 -47.65 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.151 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 17' ' ' HIS . 82.6 p . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.489 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.676 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.633 ' NZ ' ' NH2' ' A' ' 18' ' ' ARG . 4.3 tmtt? -60.73 -44.5 96.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.067 0.46 . . . . 0.0 109.809 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.8 m -65.23 -44.21 88.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.736 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.79 -44.94 99.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.898 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -64.62 -39.47 93.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.501 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.633 ' NH2' ' NZ ' ' A' ' 14' ' ' LYS . 60.0 ttm-85 -62.85 -45.5 92.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.224 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.9 tp -66.23 -46.1 78.35 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.788 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.7 t -66.74 -48.15 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.472 ' O ' HG22 ' A' ' 21' ' ' THR . 23.7 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.129 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.9 t80 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -70.42 -47.34 61.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.104 0.478 . . . . 0.0 110.263 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -65.01 -35.6 81.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.775 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -66.36 -46.36 77.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 110.594 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.23 -43.92 97.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.603 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -66.29 -39.57 89.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.084 0.468 . . . . 0.0 110.752 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -57.99 -40.64 81.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.543 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.48 -33.37 81.12 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.3 mm -63.89 -45.13 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.908 0.385 . . . . 0.0 110.112 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.4 t -61.86 -42.98 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.491 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -57.54 -41.13 80.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.393 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.5 t -60.01 -31.5 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.7 -31.96 52.03 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.43 -46.21 80.82 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.49 HG23 ' N ' ' A' ' 16' ' ' ILE . 9.0 t -69.33 -43.36 73.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.885 0.374 . . . . 0.0 110.662 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.49 ' N ' HG23 ' A' ' 15' ' ' THR . 92.9 mt -63.59 -45.18 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.379 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.54 ' CE1' ' HG1' ' A' ' 21' ' ' THR . 83.7 t60 -66.61 -37.27 84.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.719 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 73.1 ttt180 -63.27 -45.55 90.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.346 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.08 -44.6 83.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.48 -48.01 81.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.712 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.54 ' HG1' ' CE1' ' A' ' 17' ' ' HIS . 53.6 m -74.88 -1.61 23.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.049 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.53 -0.02 71.39 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.549 ' N ' ' O ' ' A' ' 18' ' ' ARG . . . . . . . . 0 C--N 1.36 1.055 0 O-C-N 122.505 -0.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.0 t80 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -70.33 -46.57 63.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.076 0.465 . . . . 0.0 110.36 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -65.5 -36.44 83.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.856 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -65.55 -45.62 82.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.902 0.382 . . . . 0.0 110.595 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.88 -43.94 96.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.958 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -63.21 -46.29 87.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.031 0.443 . . . . 0.0 110.944 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.63 -38.87 92.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.058 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.85 -34.8 90.86 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.4 mm -65.34 -44.48 94.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 110.33 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.48 -40.35 88.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.66 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -56.08 -41.79 75.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.324 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.8 t -57.9 -29.9 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.969 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.68 -31.09 56.98 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.32 -43.4 97.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.751 0.31 . . . . 0.0 111.078 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 15' ' ' THR . 1.4 t -69.5 -39.91 77.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.687 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 20' ' ' VAL . 84.1 mt -62.58 -47.38 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.468 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -66.69 -42.16 86.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.77 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -63.46 -46.82 84.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.604 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.2 mt -66.24 -44.64 83.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 16' ' ' ILE . 76.0 t -67.07 -47.72 81.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.848 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 m -74.83 -1.43 22.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.117 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.76 0.07 30.19 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.043 0 O-C-N 122.497 -0.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.417 ' CD2' ' N ' ' A' ' 2' ' ' PHE . 52.0 p90 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.625 ' CZ ' ' CE1' ' A' ' 6' ' ' PHE . 51.8 t80 -68.08 -50.84 52.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.103 0.478 . . . . 0.0 110.161 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -61.82 -34.75 76.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.789 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -65.5 -44.9 85.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.658 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.8 mt -63.64 -43.4 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.55 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.625 ' CE1' ' CZ ' ' A' ' 2' ' ' PHE . 9.4 m-85 -69.07 -34.53 75.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.461 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -56.04 -42.99 77.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.594 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.91 -33.68 86.28 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.9 mm -65.76 -44.33 93.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.031 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.4 t -61.04 -42.47 93.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.48 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -57.88 -41.85 83.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.1 t -60.95 -46.05 97.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.151 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.75 -34.68 89.48 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -62.02 -45.29 94.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.64 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.9 m -66.75 -45.49 78.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.071 0.462 . . . . 0.0 110.6 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.5 -44.3 99.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.067 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.447 ' O ' HG22 ' A' ' 21' ' ' THR . 55.6 t-80 -66.57 -35.33 79.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.934 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 76.4 ttt180 -59.09 -49.27 78.51 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.575 -179.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.71 -43.29 89.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.977 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.48 -49.62 79.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.174 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 17' ' ' HIS . 2.7 t -75.26 -0.29 19.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.991 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.83 -0.02 73.26 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.55 ' N ' ' O ' ' A' ' 18' ' ' ARG . . . . . . . . 0 C--N 1.36 1.036 0 O-C-N 122.43 -0.453 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 90.2 t80 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -71.13 -51.0 27.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.477 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -53.2 -33.21 51.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.822 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -61.95 -46.35 89.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.654 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 38.2 mm -64.94 -43.95 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.775 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -68.35 -36.22 78.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.696 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -60.31 -41.86 94.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.476 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.28 -35.68 63.68 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.536 ' O ' HG22 ' A' ' 12' ' ' VAL . 4.6 mm -63.7 -50.4 78.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.111 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.97 -32.95 60.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.379 . . . . 0.0 111.038 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' LYS . 86.5 t60 -54.06 -50.37 66.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 9' ' ' ILE . 1.3 m -45.48 -29.68 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.469 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.47 -36.12 76.72 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 11' ' ' HIS . 38.2 ttmt -62.78 -44.98 94.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.758 0.313 . . . . 0.0 110.504 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.1 m -67.47 -46.05 74.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.719 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 20' ' ' VAL . 97.8 mt -64.21 -45.32 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.316 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -66.45 -40.93 89.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.743 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.5 ttp85 -68.55 -45.27 72.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.492 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.77 -44.46 89.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.019 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 16' ' ' ILE . 60.4 t -65.43 -47.72 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.5 p -74.34 129.72 38.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.518 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -159.61 0.01 0.08 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.062 0 O-C-N 122.459 -0.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.525 ' CD2' ' N ' ' A' ' 2' ' ' PHE . 49.5 p90 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.525 ' N ' ' CD2' ' A' ' 1' ' ' PHE . 84.5 t80 -69.43 -50.95 40.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.162 0.506 . . . . 0.0 110.147 179.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.4 ' CE1' HH21 ' A' ' 7' ' ' ARG . 60.3 t-80 -62.9 -36.24 82.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.218 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -65.4 -46.99 77.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.956 0.407 . . . . 0.0 110.542 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.72 -43.44 98.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.53 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -67.49 -34.74 77.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.1 0.476 . . . . 0.0 110.741 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.4 HH21 ' CE1' ' A' ' 3' ' ' HIS . 40.7 ttm180 -55.04 -42.23 72.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.627 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.6 -34.61 89.51 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.57 ' O ' HG22 ' A' ' 12' ' ' VAL . 39.5 mm -65.8 -44.94 92.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.894 0.378 . . . . 0.0 110.284 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 81.6 t -63.96 -35.18 72.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.039 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -57.23 -46.99 82.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.336 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 9' ' ' ILE . 1.2 m -46.99 -29.85 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.79 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.53 ' O ' ' ND1' ' A' ' 17' ' ' HIS . . . -67.65 -41.12 90.08 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -62.98 -43.75 97.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.648 0.261 . . . . 0.0 110.643 -179.661 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.5 m -66.31 -46.2 77.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.962 0.411 . . . . 0.0 110.843 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 20' ' ' VAL . 91.3 mt -64.32 -46.16 93.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.594 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 13' ' ' GLY . 25.1 m80 -66.07 -42.29 89.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.786 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -64.29 -45.24 88.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.094 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.52 -45.24 84.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.82 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 16' ' ' ILE . 74.1 t -65.55 -47.69 85.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.823 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 81.7 p -75.39 -3.15 31.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.134 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.91 0.01 39.85 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.029 0 O-C-N 122.544 -0.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.6 t80 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -71.03 -44.92 64.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.067 0.46 . . . . 0.0 110.167 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.511 ' CD2' HH21 ' A' ' 7' ' ' ARG . 77.1 t60 -64.94 -36.49 84.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.84 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -64.65 -48.91 73.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.006 0.432 . . . . 0.0 110.32 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.4 mm -64.63 -43.59 96.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.305 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -63.93 -41.28 97.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.166 0.508 . . . . 0.0 110.421 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.511 HH21 ' CD2' ' A' ' 3' ' ' HIS . 41.8 ttm180 -59.68 -41.14 90.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.605 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.13 -38.97 73.2 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.5 -51.4 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.3 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -64.16 -33.96 65.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 0.0 110.693 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -58.34 -47.66 83.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.291 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.2 t -45.73 -36.25 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.438 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.39 -36.89 93.74 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.73 -43.01 99.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.516 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.9 m -66.49 -45.69 78.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.978 0.418 . . . . 0.0 110.648 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.468 ' O ' HG12 ' A' ' 20' ' ' VAL . 97.0 mt -63.09 -45.78 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.114 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -61.46 -37.17 82.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.61 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -70.49 -43.55 69.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.998 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 19' ' ' LEU . 3.9 tt -65.15 -51.44 61.18 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.979 0.419 . . . . 0.0 111.26 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.618 HG13 ' N ' ' A' ' 21' ' ' THR . 11.7 p -63.89 -47.88 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.216 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.618 ' N ' HG13 ' A' ' 20' ' ' VAL . 3.2 m -75.08 -1.91 25.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.9 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.81 0.07 4.62 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.064 0 O-C-N 122.468 -0.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.426 ' CZ ' HD11 ' A' ' 5' ' ' ILE . 72.4 t80 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.617 ' CE1' ' CE1' ' A' ' 6' ' ' PHE . 80.7 t80 -66.52 -49.72 65.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.321 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.6 p-80 -65.84 -34.5 78.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.778 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -66.25 -46.73 76.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.781 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.426 HD11 ' CZ ' ' A' ' 1' ' ' PHE . 88.1 mt -63.73 -43.6 98.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.823 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.617 ' CE1' ' CE1' ' A' ' 2' ' ' PHE . 7.2 m-85 -67.93 -37.35 81.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -61.99 -42.38 99.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.833 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.48 -36.62 93.39 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.62 -44.22 93.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.997 0.427 . . . . 0.0 110.199 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.1 t -62.03 -40.29 86.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.606 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -57.66 -43.14 84.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.355 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.12 -45.92 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.238 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.22 -29.67 74.64 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -54.51 -41.44 69.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.78 0.324 . . . . 0.0 110.417 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -65.36 -46.15 81.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.937 0.399 . . . . 0.0 111.042 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.58 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.6 mp -65.2 -45.83 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.987 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -64.75 -40.31 95.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -62.66 -46.28 88.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.187 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.23 -44.33 88.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.1 t -67.38 -46.85 82.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.758 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.547 ' O ' HG22 ' A' ' 21' ' ' THR . 79.0 m -75.05 -1.85 24.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.002 179.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.78 0.04 0.36 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.43 ' N ' ' C ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.051 0 O-C-N 122.524 -0.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -70.56 -48.58 54.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.432 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -60.89 -34.96 75.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.681 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -66.47 -45.89 78.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.495 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.16 -44.2 97.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.477 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -64.41 -42.5 96.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.477 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.37 -38.29 90.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.68 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.69 -34.86 90.86 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.96 -43.94 96.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.931 0.396 . . . . 0.0 110.385 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.9 t -61.74 -42.74 95.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.603 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -57.82 -41.85 83.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.61 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.5 -45.18 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.286 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.28 -36.61 92.99 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -62.78 -43.8 97.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.687 0.28 . . . . 0.0 110.595 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.9 m -65.52 -43.69 89.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.048 0.451 . . . . 0.0 110.793 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 20' ' ' VAL . 95.8 mt -62.91 -45.42 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.299 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -65.16 -44.66 87.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.807 0.337 . . . . 0.0 110.731 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.87 -45.1 75.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.829 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.86 -45.38 86.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.811 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 16' ' ' ILE . 54.7 t -65.42 -47.16 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.433 ' C ' ' N ' ' A' ' 23' ' ' NH2 . 77.4 p -74.31 130.21 39.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.49 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.53 0.06 0.19 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.433 ' N ' ' C ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.061 0 O-C-N 122.47 -0.43 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -70.46 -51.47 28.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.101 0.477 . . . . 0.0 110.415 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -55.45 -34.18 64.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.849 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -66.48 -40.72 89.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.353 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.08 -43.57 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 10' ' ' VAL . 63.4 m-85 -65.57 -37.05 85.56 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.122 0.486 . . . . 0.0 110.49 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -69.87 -38.7 76.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.665 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.2 -40.96 98.47 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.033 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 9' ' ' ILE . 18.0 pt -72.2 -40.99 66.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.82 0.343 . . . . 0.0 110.301 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 6' ' ' PHE . 34.8 t -61.72 -42.44 94.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.441 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -57.37 -46.66 83.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.963 0.411 . . . . 0.0 110.408 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.3 t -49.67 -29.13 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.17 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.495 ' O ' ' CD2' ' A' ' 17' ' ' HIS . . . -76.21 -30.69 56.7 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.3 -44.98 96.31 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.586 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.424 ' H ' HG22 ' A' ' 15' ' ' THR . 0.0 OUTLIER -70.72 -42.1 71.0 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.546 -179.64 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.44 ' O ' HG23 ' A' ' 20' ' ' VAL . 95.4 mt -64.28 -45.67 95.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.521 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 68.6 m-70 -68.23 -38.65 82.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.6 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -61.4 -47.44 85.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.719 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.64 -43.85 83.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.897 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 16' ' ' ILE . 71.9 t -66.45 -47.65 83.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.151 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 17' ' ' HIS . 82.6 p -74.14 132.52 42.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.489 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.58 0.03 0.03 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.039 0 O-C-N 122.508 -0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -71.2 -51.18 26.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.408 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -57.08 -34.22 68.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.89 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -66.06 -44.02 85.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.434 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.99 -44.05 97.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.734 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -69.12 -36.82 77.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.98 0.419 . . . . 0.0 110.822 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -58.85 -43.38 90.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.607 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.58 -38.84 78.89 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.52 ' O ' HG22 ' A' ' 12' ' ' VAL . 95.5 mt -65.73 -45.46 91.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.859 0.362 . . . . 0.0 110.51 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.3 t -64.96 -33.68 65.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.201 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -55.51 -47.67 75.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.073 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 9' ' ' ILE . 1.1 m -50.09 -29.88 6.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.9 0.381 . . . . 0.0 110.494 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.55 -34.87 56.47 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.633 ' NZ ' ' NH2' ' A' ' 18' ' ' ARG . 4.3 tmtt? -60.73 -44.5 96.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.067 0.46 . . . . 0.0 109.809 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.8 m -65.23 -44.21 88.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.736 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.79 -44.94 99.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.898 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -64.62 -39.47 93.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.501 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.633 ' NH2' ' NZ ' ' A' ' 14' ' ' LYS . 60.0 ttm-85 -62.85 -45.5 92.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.224 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.9 tp -66.23 -46.1 78.35 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.788 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.7 t -66.74 -48.15 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.472 ' O ' HG22 ' A' ' 21' ' ' THR . 23.7 m -75.01 -1.86 24.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.129 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.89 111.53 0.46 Allowed Glycine 0 C--O 1.22 -0.722 0 CA-C-O 117.894 -1.504 . . . . 0.0 110.777 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.056 0 O-C-N 125.593 1.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_