data_5ugk_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 5ugk _Structure_validation_residue.Date_analyzed 2017-05-26 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 82.1 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -113.44 122.88 48.66 Favored 'General case' 0 N--CA 1.438 -1.026 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -117.93 121.64 67.83 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -119.08 130.95 55.87 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.309 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.425 ' C ' ' CD1' ' A' ' 5' ' ' LEU . 2.7 tm? -121.83 118.56 29.28 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -133.74 119.01 18.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.6 pt . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.985 -179.493 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 93.1 mt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -111.32 123.64 50.62 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -115.78 124.97 72.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -119.03 129.6 55.2 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 72.3 mt -122.09 123.39 41.46 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -138.77 112.69 8.49 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.678 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.681 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 83.9 mt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -113.42 122.96 48.9 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.85 121.32 67.1 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -119.32 130.45 55.38 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.188 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 5' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' E' ' 5' ' ' LEU . 2.7 tm? -121.55 116.61 24.98 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -133.0 117.85 18.11 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 pt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.852 -179.462 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -110.94 123.88 51.02 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 59.8 t -115.75 124.78 72.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -118.66 129.54 55.36 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 73.0 mt -122.06 122.34 39.05 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -139.15 112.99 8.5 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.597 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 82.0 mt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -112.95 123.03 49.38 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -117.86 121.23 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -119.29 130.27 55.32 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.215 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -121.52 114.48 21.29 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -131.74 117.25 18.35 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.517 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 pt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.775 -179.318 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -110.17 124.16 51.05 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 63.8 t -115.46 125.07 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -118.62 129.79 55.51 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 76.6 mt -120.95 122.86 41.09 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -141.3 111.57 6.83 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 pt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.585 -179.032 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 82.2 mt . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.63 122.8 48.27 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.96 121.62 67.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.93 131.1 56.02 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-O 120.622 0.249 . . . . 0.0 111.249 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 5' ' ' LEU . . . . . 0.429 ' CD1' ' C ' ' O' ' 5' ' ' LEU . 2.7 tm? -122.08 118.46 28.78 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -133.88 119.25 18.91 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 44.7 pt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.957 -179.405 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -111.42 123.82 50.99 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.09 124.79 72.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -118.83 129.66 55.34 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 73.1 mt -121.87 123.42 41.7 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -138.77 112.59 8.43 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.676 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 83.5 mt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.51 123.04 49.05 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.9 121.32 67.08 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -119.27 130.57 55.49 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.199 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 5' ' ' LEU . . . . . 0.408 ' CD1' ' C ' ' S' ' 5' ' ' LEU . 2.7 tm? -122.01 116.63 24.64 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -133.13 118.27 18.5 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.278 0.561 . . . . 0.0 109.576 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 46.7 pt . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.703 -179.409 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 90.6 mt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -111.17 123.79 50.91 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 57.8 t -115.72 124.64 72.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -118.33 129.48 55.46 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 72.3 mt -121.77 121.86 38.21 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -138.77 112.7 8.5 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.625 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.568 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 81.8 mt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -112.98 123.05 49.42 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -117.71 121.16 66.79 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -119.28 130.23 55.31 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.103 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -121.89 114.45 21.04 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -131.78 117.86 19.14 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.72 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 42.7 pt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.801 -179.523 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 90.3 mt . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -110.26 123.99 50.8 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 64.7 t -115.61 125.04 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.39 129.81 55.63 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 76.8 mt -120.57 121.66 38.88 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -139.95 111.75 7.41 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 pt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.589 -179.11 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.504 ' O ' ' CD1' ' C' ' 1' ' ' ILE . 95.7 mt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -115.02 121.99 44.83 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.2 t -119.05 122.43 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.63 130.95 56.15 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.8 mt -122.47 118.14 27.63 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.616 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -127.02 105.97 8.96 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.203 -178.908 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -112.68 123.05 49.42 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 176.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 70.1 t -116.1 125.44 73.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -118.04 129.37 55.52 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 44.3 tp -126.21 124.83 41.3 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.822 0.344 . . . . 0.0 110.733 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -136.45 114.71 11.63 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.102 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.287 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 1' ' ' ILE . . . . . 0.412 HD13 HG21 ' E' ' 1' ' ' ILE . 81.1 mt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.88 122.11 46.03 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 44.1 t -119.11 122.13 68.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.77 130.41 55.78 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.934 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 62.7 mt -122.52 116.89 24.69 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.873 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -124.86 107.18 10.63 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 mt . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.351 -179.425 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -112.25 123.11 49.57 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.539 -0.864 . . . . 0.0 108.838 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 63.9 t -116.38 125.12 73.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -118.1 129.31 55.47 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 45.4 tp -126.2 124.59 40.79 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.986 0.422 . . . . 0.0 110.827 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -135.78 111.84 9.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.323 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.335 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 1' ' ' ILE . . . . . 0.414 HD13 HG21 ' I' ' 1' ' ' ILE . 68.5 mt . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -113.46 122.35 47.03 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 45.8 t -118.98 122.03 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.86 129.75 55.38 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.893 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 58.7 mt -122.26 112.82 18.61 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.052 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -120.81 106.82 12.03 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.553 -179.53 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.764 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.86 123.12 49.5 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 62.9 t -116.3 125.49 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -118.09 129.41 55.53 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 42.9 tp -126.68 124.52 40.02 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.885 0.374 . . . . 0.0 110.71 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -136.26 109.22 7.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.171 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.269 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 1' ' ' ILE . . . . . 0.493 ' O ' ' CD1' ' Q' ' 1' ' ' ILE . 92.3 mt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -115.11 122.11 45.09 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 42.2 t -119.04 122.3 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.53 131.0 56.23 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 76.2 mt -122.29 119.51 31.35 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -127.82 106.66 9.27 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.194 -178.761 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' Q' Q ' 1' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' O' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -113.11 123.01 49.26 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 176.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 63.9 t -116.44 125.52 73.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.13 129.51 55.57 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 45.5 tp -126.49 124.73 40.73 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.753 0.311 . . . . 0.0 110.728 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -135.97 116.48 13.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.214 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Q' Q ' 7' ' ' ILE . . . . . 0.425 ' CD1' ' N ' ' Q' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.234 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 1' ' ' ILE . . . . . 0.445 HG23 ' O ' ' Q' ' 1' ' ' ILE . 75.3 mt . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -114.37 122.25 46.08 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 43.1 t -119.28 122.22 68.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.64 130.65 55.98 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.775 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 65.1 mt -122.35 116.9 24.85 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.815 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -125.29 106.92 10.21 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 mt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.222 -179.175 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' U' U ' 1' ' ' ILE . . . . . 0.427 ' CD1' ' O ' ' S' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -112.34 122.84 48.87 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 119.647 -0.821 . . . . 0.0 108.846 175.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 65.2 t -116.58 125.52 73.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -118.06 129.48 55.58 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 46.1 tp -126.35 123.79 38.8 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.904 0.383 . . . . 0.0 110.78 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -134.96 112.44 10.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.343 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.305 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 1' ' ' ILE . . . . . 0.434 HD13 HG21 ' W' ' 1' ' ' ILE . 70.6 mt . . . . . 0 N--CA 1.493 1.711 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -113.6 122.39 47.08 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 44.5 t -119.16 122.08 68.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 177.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.45 129.83 55.61 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 118.312 0.505 . . . . 0.0 111.719 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 62.6 mt -122.39 112.37 18.0 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.087 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -120.76 107.22 12.49 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 mt . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.517 -179.437 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -110.4 122.71 48.36 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 67.4 t -116.43 125.87 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -118.21 129.9 55.76 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 43.3 tp -126.56 123.99 38.96 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.891 0.377 . . . . 0.0 110.823 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -135.82 108.97 7.72 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.05 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.22 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -113.15 122.86 48.79 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.7 t -117.88 122.23 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.54 131.32 56.22 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 120.607 0.241 . . . . 0.0 111.18 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.32 112.87 9.41 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -112.43 113.44 25.63 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.016 -178.765 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.81 124.63 52.39 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -114.83 125.28 72.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -118.07 129.23 55.44 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.12 119.26 14.5 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.932 0.396 . . . . 0.0 110.036 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -120.87 112.23 18.53 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.098 -179.003 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.15 123.25 49.79 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 49.1 t -117.77 121.88 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -118.74 130.4 55.79 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-O 120.885 0.374 . . . . 0.0 111.107 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.91 113.25 11.35 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.793 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -113.92 115.25 27.38 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.055 -178.689 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 94.9 mt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -110.13 124.75 52.1 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 65.5 t -114.87 125.3 72.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -117.97 128.73 55.08 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.39 118.6 15.54 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.825 0.345 . . . . 0.0 110.119 -179.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -120.85 110.96 16.95 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.193 -179.243 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' I' I ' 1' ' ' ILE . . . . . 0.411 HD13 HG21 ' I' ' 1' ' ' ILE . 96.6 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -113.06 123.54 50.53 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 47.7 t -117.71 122.17 69.16 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -118.53 130.12 55.74 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.29 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.18 112.07 10.8 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.992 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -113.34 116.68 30.07 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.218 -178.623 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 95.1 mt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -107.71 125.3 51.21 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 65.0 t -114.7 125.5 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -118.11 129.37 55.5 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.35 119.2 16.24 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -178.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -122.53 108.57 13.3 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.15 -179.151 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -112.35 123.0 49.33 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 48.0 t -117.93 122.28 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.57 131.19 56.21 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 120.66 0.267 . . . . 0.0 111.135 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.12 112.52 9.27 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -111.97 113.69 26.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.088 -178.829 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 94.3 mt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.83 124.56 52.27 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 68.5 t -114.77 125.27 72.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.18 129.19 55.36 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.22 119.07 14.18 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -120.51 112.28 18.74 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.08 -179.028 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.34 123.33 49.86 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -117.89 121.95 68.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -118.69 130.35 55.79 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-O 120.849 0.357 . . . . 0.0 111.052 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.86 112.8 10.97 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.76 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -113.42 115.54 28.22 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.007 -178.57 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 93.3 mt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.17 124.81 52.23 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 67.2 t -114.93 125.4 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -118.0 128.78 55.12 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.67 118.46 15.1 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.889 0.376 . . . . 0.0 110.114 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -120.63 111.21 17.36 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.234 -179.291 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -113.17 123.54 50.46 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -117.62 122.15 69.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -118.48 129.94 55.66 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.185 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.15 111.92 10.7 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.028 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -113.15 116.89 30.54 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 7' ' ' ILE . . . . . 0.409 HD12 HG21 ' W' ' 7' ' ' ILE . 4.4 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.12 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -107.6 125.06 50.85 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 67.1 t -114.71 125.42 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -117.87 129.62 55.76 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.6 119.86 16.76 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.798 0.333 . . . . 0.0 110.203 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -122.83 108.7 13.3 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.085 -0.96 . . . . 0.0 110.086 -179.131 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.527 0.68 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -113.9 122.66 47.68 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.5 t -118.02 121.77 68.09 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.53 131.56 56.22 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 120.662 0.268 . . . . 0.0 111.179 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.1 tp -120.11 121.51 39.0 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.312 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -129.39 116.72 19.46 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 177.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.5 pt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.893 -177.857 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -111.79 123.89 51.2 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.7 125.09 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.98 130.19 55.56 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 73.1 mt -121.83 125.22 45.99 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -138.32 115.74 11.2 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.51 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.368 0.604 . . . . 0.0 109.557 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -114.18 122.58 47.24 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.04 121.23 66.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.8 131.4 56.1 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-O 120.583 0.23 . . . . 0.0 111.216 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 62.8 tp -120.02 121.72 39.55 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.087 0.47 . . . . 0.0 110.828 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.8 116.34 18.58 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 44.5 pt . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.959 -177.891 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -111.23 124.08 51.5 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -115.54 125.04 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.8 129.96 55.52 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 73.0 mt -121.53 124.35 44.18 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.767 0.318 . . . . 0.0 110.145 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -137.54 115.55 11.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.544 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 1' ' ' ILE . . . . . 0.402 HG23 HD12 ' I' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -114.0 122.64 47.55 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 61.0 t -118.09 121.22 66.74 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -119.0 131.34 56.0 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.512 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 61.7 tp -119.76 121.2 38.64 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.023 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.43 115.37 17.4 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 39.6 pt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.076 -0.964 . . . . 0.0 111.023 -178.098 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -109.03 124.42 50.7 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 62.6 t -115.18 124.97 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -118.77 130.02 55.56 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 76.5 mt -120.66 123.48 42.88 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.846 0.355 . . . . 0.0 110.409 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -137.5 115.79 11.82 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.452 -178.727 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.487 0.661 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -113.87 122.59 47.48 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 62.5 t -117.98 121.76 68.08 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.46 131.53 56.26 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-O 120.655 0.264 . . . . 0.0 111.216 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 62.9 tp -120.1 121.55 39.09 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.307 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -129.39 116.68 19.39 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 48.6 pt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.92 -177.847 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -111.77 123.93 51.28 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -115.71 125.03 72.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.87 130.26 55.64 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 73.7 mt -121.88 125.24 45.98 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -138.32 115.77 11.23 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.471 0.585 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.496 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.334 0.587 . . . . 0.0 109.512 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -114.16 122.61 47.34 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.08 121.27 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.83 131.43 56.08 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 120.553 0.216 . . . . 0.0 111.15 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 63.0 tp -120.0 121.68 39.48 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.018 0.437 . . . . 0.0 110.831 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.83 116.34 18.56 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 44.8 pt . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.927 -177.871 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -111.18 124.1 51.52 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -115.49 125.07 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -118.83 130.05 55.55 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 72.9 mt -121.59 124.33 44.1 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 120.774 0.321 . . . . 0.0 110.146 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -137.53 115.51 11.56 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.571 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -113.95 122.71 47.8 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 60.1 t -118.12 121.27 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.93 131.26 56.03 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.36 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 61.9 tp -119.91 121.04 38.15 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.058 0.456 . . . . 0.0 110.99 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.36 115.44 17.55 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 pt . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.993 -1.003 . . . . 0.0 111.035 -178.083 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -108.92 124.46 50.71 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 61.5 t -115.19 124.96 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -118.68 130.04 55.62 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 76.1 mt -120.69 123.43 42.73 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 120.815 0.34 . . . . 0.0 110.389 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -137.48 115.99 12.01 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.454 -178.714 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 95.8 mt . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -113.46 122.79 48.36 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.4 t -118.32 122.77 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.16 131.58 56.39 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 121.023 0.439 . . . . 0.0 112.129 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.9 tp -118.68 121.71 40.77 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.489 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -137.77 107.15 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.468 0.437 0 CA-C-O 117.887 -1.054 . . . . 0.0 109.939 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 91.1 mt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -111.36 123.96 51.27 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 67.1 t -115.55 125.31 72.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.13 128.96 55.24 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 18.7 mt -123.75 111.54 16.27 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.392 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -127.38 115.2 18.58 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 pt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.111 -0.947 . . . . 0.0 110.283 -179.347 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.51 122.82 48.42 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -118.35 122.14 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -118.53 130.77 56.1 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 51.2 tp -117.81 120.77 38.92 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.234 178.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -136.57 107.46 6.66 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.469 0.505 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.837 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 87.9 mt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.46 124.11 51.15 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 74.1 t -115.36 125.27 72.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.583 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -117.96 128.74 55.09 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 23.2 mt -122.76 111.05 16.24 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.523 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -126.93 115.69 19.66 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.315 0.578 . . . . 0.0 109.467 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 pt . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.325 -179.198 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -113.1 122.78 48.57 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -118.25 122.0 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -118.45 130.7 56.1 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 53.4 tp -117.5 119.4 34.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.325 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -135.17 106.97 6.99 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.241 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 89.4 mt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -107.72 124.28 49.78 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 86.1 t -115.2 125.48 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -117.81 128.84 55.25 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 42.2 mt -121.3 111.31 17.2 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.598 0.237 . . . . 0.0 110.557 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -128.62 114.29 16.49 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 46.2 pt . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.497 -179.105 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 95.8 mt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -113.59 122.81 48.35 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -118.17 122.68 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.19 131.51 56.38 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-O 120.948 0.404 . . . . 0.0 112.021 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 50.6 tp -118.78 121.88 41.11 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.561 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -137.65 107.14 6.15 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.511 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.034 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 89.1 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -111.55 123.99 51.36 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 67.4 t -115.49 125.35 72.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -118.15 128.95 55.21 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 18.5 mt -123.77 111.3 15.98 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 121.135 -0.226 . . . . 0.0 110.443 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -127.07 114.65 18.03 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 pt . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.235 -179.368 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -113.72 122.83 48.31 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t -118.33 122.05 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -118.5 130.8 56.13 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -117.97 120.66 38.51 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.207 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -136.48 107.33 6.64 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.91 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 1' ' ' ILE . . . . . 0.414 HG21 HD12 ' U' ' 1' ' ' ILE . 86.8 mt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.29 123.89 50.64 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -115.27 125.17 72.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -118.02 128.7 55.03 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 22.8 mt -122.98 110.61 15.59 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.541 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -126.37 115.75 20.12 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 45.8 pt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.397 -179.3 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -113.26 122.89 48.82 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -118.2 122.07 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -118.4 130.53 56.04 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 tp -117.71 119.23 34.3 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.313 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -135.14 106.99 7.01 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.413 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 1' ' ' ILE . . . . . 0.404 HG21 HD12 ' Y' ' 1' ' ' ILE . 86.3 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -107.73 124.13 49.56 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 82.3 t -115.37 125.61 72.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -117.88 129.07 55.41 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 43.4 mt -121.4 110.78 16.5 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.622 0.249 . . . . 0.0 110.495 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -128.15 114.12 16.6 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 46.7 pt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.34 -179.012 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -113.63 123.71 50.58 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.39 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.8 122.75 70.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.6 130.99 56.19 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 120.63 0.253 . . . . 0.0 110.886 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.66 108.99 7.81 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.845 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -106.46 111.54 24.15 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.8 mt . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.237 -179.421 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -111.33 123.08 49.48 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -116.59 125.69 73.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -118.62 129.48 55.34 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mp -135.59 128.9 32.04 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.805 0.336 . . . . 0.0 110.538 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -122.84 109.5 14.26 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.629 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 76.9 mt . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.36 179.872 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.56 124.29 52.0 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.64 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 45.4 t -117.79 122.7 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.45 130.56 56.03 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 120.95 0.405 . . . . 0.0 110.95 176.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.18 107.7 7.37 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -106.93 113.48 26.99 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.674 -0.41 . . . . 0.0 109.998 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 24.3 mt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.21 -179.235 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 93.2 mt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -110.91 123.37 50.02 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -115.98 126.09 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -118.53 129.43 55.35 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -135.92 128.49 30.64 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.702 0.287 . . . . 0.0 110.548 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -122.46 109.16 14.02 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.836 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 79.3 mt . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.442 179.866 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 93.7 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -113.84 124.25 51.78 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.053 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 42.8 t -117.75 122.59 70.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.484 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.39 130.17 55.83 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-O 120.961 0.41 . . . . 0.0 111.082 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.92 107.12 7.18 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.812 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -106.51 113.99 27.83 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.117 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.259 -179.257 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' K' K ' 1' ' ' ILE . . . . . 0.406 HG22 HD13 ' K' ' 1' ' ' ILE . 89.1 mt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -110.09 124.72 52.0 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 35.9 m -115.5 125.82 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -118.31 129.58 55.53 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -136.12 127.53 28.49 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.534 0.207 . . . . 0.0 110.538 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -122.12 107.55 12.31 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 79.5 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.348 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.51 123.77 50.8 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -117.7 122.75 70.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.26 130.91 56.33 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 120.743 0.306 . . . . 0.0 110.993 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.75 110.11 8.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.712 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -108.19 111.02 22.8 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.226 -179.342 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -110.94 122.91 49.07 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.39 126.0 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -118.66 129.76 55.48 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mp -136.49 127.46 27.66 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.805 0.336 . . . . 0.0 110.626 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -121.69 109.56 14.88 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.672 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.378 179.796 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -113.55 124.11 51.58 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.094 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 44.2 t -117.76 122.67 70.33 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.036 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.91 130.21 55.6 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-O 120.887 0.375 . . . . 0.0 110.862 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.32 108.62 8.31 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.872 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -107.62 113.03 26.05 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.278 -179.248 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 93.0 mt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -110.74 123.38 49.93 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.1 125.71 73.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 176.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -118.13 129.43 55.53 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -135.92 127.48 28.79 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.742 0.306 . . . . 0.0 110.711 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -121.57 109.15 14.44 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.849 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--O 1.222 -0.367 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.417 179.8 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 94.1 mt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -113.5 124.02 51.39 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 44.6 t -117.8 122.36 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.31 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.54 130.44 55.91 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 120.925 0.393 . . . . 0.0 111.002 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.77 107.1 6.82 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.922 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -106.75 114.16 28.09 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.218 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.236 -179.286 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' Y' Y ' 1' ' ' ILE . . . . . 0.403 HG22 HD13 ' Y' ' 1' ' ' ILE . 91.0 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -110.09 124.68 51.94 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 35.3 m -115.55 125.78 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.26 129.65 55.59 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -136.14 127.82 28.98 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 121.232 -0.187 . . . . 0.0 110.571 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -122.76 106.98 11.4 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 81.3 mt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.335 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.529 0.681 . . . . 0.0 109.922 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -113.72 123.37 49.72 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.7 t -117.35 122.07 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.46 131.21 56.27 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 120.453 0.168 . . . . 0.0 110.718 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.3 mt -115.75 111.47 20.6 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -126.52 105.57 8.84 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.427 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 1.5 pp . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.115 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 89.5 mt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -111.72 122.75 48.64 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 60.0 t -116.5 125.44 73.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.31 130.05 55.81 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -115.93 117.15 29.35 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -137.54 120.47 16.5 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.251 0.548 . . . . 0.0 110.674 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pt . . . . . 0 N--CA 1.471 0.605 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.729 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.48 0.657 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -114.38 123.29 49.1 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.846 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 75.4 t -117.58 121.8 68.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.67 131.11 56.16 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.0 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 43.8 mt -114.94 113.4 24.09 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.448 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -129.44 105.24 7.96 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.605 0.717 . . . . 0.0 109.334 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 7' ' ' ILE . . . . . 0.43 ' O ' ' CD1' ' E' ' 7' ' ' ILE . 1.3 pp . . . . . 0 C--O 1.218 -0.584 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.911 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -111.29 123.08 49.49 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -116.28 125.4 73.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -118.03 129.83 55.81 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -115.27 116.8 28.91 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -137.7 119.42 15.11 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.458 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.906 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.258 0.551 . . . . 0.0 109.826 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -114.4 123.43 49.44 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.978 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 98.2 t -117.72 121.89 68.51 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -118.6 130.92 56.15 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.306 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 43.5 mt -114.38 112.72 23.5 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.835 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -129.46 104.85 7.71 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 121.587 0.708 . . . . 0.0 109.638 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 7' ' ' ILE . . . . . 0.449 ' O ' ' CD1' ' I' ' 7' ' ' ILE . 1.3 pp . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.903 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 89.6 mt . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -107.84 123.88 49.25 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 57.9 t -115.71 125.46 72.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -117.97 129.89 55.87 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -114.61 115.5 27.26 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -138.01 119.64 15.05 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.205 0.526 . . . . 0.0 110.343 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 pt . . . . . 0 C--O 1.222 -0.393 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.601 -179.337 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.534 0.683 . . . . 0.0 109.834 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -113.75 123.45 49.88 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 67.0 t -117.23 122.11 69.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.5 131.3 56.25 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 120.558 0.218 . . . . 0.0 110.62 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 58.0 mt -116.3 110.2 18.41 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -125.17 106.15 9.68 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 7' ' ' ILE . . . . . 0.438 ' O ' ' CD1' ' O' ' 7' ' ' ILE . 1.6 pp . . . . . 0 N--CA 1.47 0.554 0 CA-C-O 117.93 -1.033 . . . . 0.0 111.195 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 85.7 mt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -111.78 122.99 49.29 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 60.9 t -116.7 125.44 73.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -118.16 130.3 56.02 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -116.59 115.84 26.47 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -136.08 120.88 18.53 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.165 0.507 . . . . 0.0 110.539 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 N--CA 1.471 0.589 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.722 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 121.537 0.684 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -114.54 123.4 49.29 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.936 177.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 79.9 t -117.47 121.86 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.56 131.12 56.21 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.903 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 45.2 mt -115.34 112.7 22.77 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.637 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -128.87 105.4 8.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.56 0.695 . . . . 0.0 109.23 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 7' ' ' ILE . . . . . 0.423 ' O ' ' CD1' ' S' ' 7' ' ' ILE . 1.3 pp . . . . . 0 C--O 1.218 -0.589 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.88 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 84.4 mt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -110.99 123.29 49.9 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -116.33 125.44 73.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -117.88 130.0 55.98 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -115.82 116.0 27.25 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -137.24 119.64 15.83 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.131 0.491 . . . . 0.0 110.456 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 N--CA 1.469 0.498 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.79 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.255 0.55 . . . . 0.0 109.816 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -114.39 123.57 49.8 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.248 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 97.4 t -117.53 121.94 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -118.44 131.02 56.28 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.147 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 43.9 mt -114.73 111.99 22.13 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.665 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -129.11 104.58 7.64 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 121.653 0.739 . . . . 0.0 109.382 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 7' ' ' ILE . . . . . 0.447 ' O ' ' CD1' ' W' ' 7' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.218 -0.561 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.473 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -107.76 123.78 49.05 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -115.96 125.46 73.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -117.85 130.09 56.05 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -114.56 116.16 28.34 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -138.58 119.52 14.35 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.278 0.561 . . . . 0.0 110.326 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 pt . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.478 -179.34 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -113.9 123.2 49.19 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.586 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -117.83 120.89 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -120.33 134.46 55.26 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.24 118.9 9.78 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.283 0.563 . . . . 0.0 109.978 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -108.75 112.11 24.23 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.5 mm . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.974 -179.592 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -111.57 123.57 50.5 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -116.08 124.49 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -119.83 130.62 54.99 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.54 125.38 14.29 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.744 178.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -116.33 113.78 23.42 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.708 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 28.2 pt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.46 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 98.0 mt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -114.34 123.23 48.99 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.016 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 59.2 t -118.16 120.53 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.6 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.63 132.85 55.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.32 121.6 13.08 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.517 0.675 . . . . 0.0 111.016 177.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -110.59 114.35 27.69 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.224 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 11.6 mm . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.138 -0.934 . . . . 0.0 109.965 -179.777 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -110.96 123.76 50.8 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -115.96 124.45 72.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -119.73 130.37 54.96 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.99 126.67 15.2 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.544 0.688 . . . . 0.0 110.92 178.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -117.41 114.25 23.25 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.888 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 27.5 pt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.602 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 97.6 mt . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -114.21 123.31 49.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.339 -0.391 . . . . 0.0 109.98 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -118.03 120.29 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.72 131.66 54.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.21 122.03 14.42 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.345 0.593 . . . . 0.0 111.072 178.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -110.51 114.81 28.53 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.445 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 10.9 mm . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.103 -179.903 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 88.1 mt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -107.79 124.21 49.72 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 69.0 t -115.55 124.77 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -119.47 130.81 55.42 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.0 129.34 17.79 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.04 0.448 . . . . 0.0 110.869 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -121.15 115.87 23.89 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.7 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 32.9 pt . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.244 -179.83 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 97.4 mt . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -113.89 123.3 49.43 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.56 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 62.1 t -117.77 120.91 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 120.369 -0.532 . . . . 0.0 109.71 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -120.41 134.37 55.28 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.34 119.61 10.2 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.34 0.591 . . . . 0.0 110.045 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -108.97 112.23 24.32 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 14.9 mm . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.014 -179.573 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 93.4 mt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -111.98 123.5 50.39 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -116.13 124.34 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -119.85 130.61 54.96 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.2 126.2 15.42 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.572 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -116.88 114.1 23.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.62 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 pt . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.417 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 98.0 mt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -114.56 123.4 49.27 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.111 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -118.09 120.44 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.53 176.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.7 132.22 54.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.62 122.34 14.32 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.481 0.658 . . . . 0.0 110.848 178.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -111.14 114.26 27.38 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.192 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 11.5 mm . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.936 -179.646 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 91.9 mt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -111.28 123.87 51.08 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -116.03 124.36 72.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -119.71 130.28 54.93 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.75 126.74 15.48 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.79 178.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -117.54 114.09 22.93 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.931 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 26.7 pt . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.6 -179.852 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 97.8 mt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -114.26 123.24 49.06 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.178 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -118.05 119.95 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.65 131.36 54.56 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.82 122.18 14.94 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.406 0.622 . . . . 0.0 111.139 178.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -110.89 114.89 28.57 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.459 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 mm . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.037 -179.835 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -107.87 124.15 49.66 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 68.6 t -115.63 124.74 72.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -119.37 130.94 55.59 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.27 128.88 17.11 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.052 0.453 . . . . 0.0 110.962 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -120.68 115.65 23.77 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.703 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 31.9 pt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.27 -179.803 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 97.9 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -113.4 122.11 46.37 Favored 'General case' 0 N--CA 1.436 -1.153 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.6 t -118.86 123.02 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -117.9 131.19 56.56 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 120.837 0.351 . . . . 0.0 111.946 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.9 mt -121.18 110.98 16.84 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -117.76 116.7 27.54 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.107 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 85.1 mt . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.93 123.24 49.76 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 78.8 t -116.06 125.45 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.35 129.65 55.55 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 46.2 tp -125.98 122.98 37.49 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.756 0.312 . . . . 0.0 110.185 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -130.68 119.26 22.14 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.887 -1.054 . . . . 0.0 109.442 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -113.4 122.06 46.22 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 61.0 t -119.01 122.57 69.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -118.38 130.72 56.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 118.148 0.431 . . . . 0.0 111.799 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 51.6 mt -120.5 110.58 16.64 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -117.8 117.49 29.46 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.017 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 83.5 mt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -110.32 123.4 49.76 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 66.1 t -115.82 125.48 72.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -118.16 129.72 55.68 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 43.3 tp -126.36 122.62 35.9 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.801 0.334 . . . . 0.0 110.458 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -129.99 118.14 21.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.603 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.514 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.81 122.24 46.46 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.85 122.28 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.45 130.72 56.12 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 118.339 0.518 . . . . 0.0 111.931 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 46.2 mt -120.78 109.51 15.25 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.544 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -116.92 117.01 28.53 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.139 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 82.8 mt . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -107.7 123.77 49.01 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 72.4 t -115.6 125.8 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -117.87 129.96 55.96 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 121.199 -0.2 . . . . 0.0 110.462 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 41.2 tp -126.66 123.09 36.76 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.771 0.32 . . . . 0.0 110.649 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -130.91 116.8 18.36 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.557 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 98.1 mt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -113.65 122.1 46.14 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 56.9 t -118.81 122.94 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -117.81 131.22 56.6 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.901 0.382 . . . . 0.0 111.927 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 64.6 mt -121.26 111.18 17.05 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -117.84 116.72 27.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.118 -178.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 85.5 mt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -110.96 123.23 49.76 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 82.2 t -116.06 125.58 73.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -118.37 129.77 55.62 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 46.5 tp -126.18 123.12 37.52 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -130.96 119.29 21.88 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.422 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -113.68 122.14 46.24 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -119.11 122.46 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.33 130.7 56.17 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 118.098 0.408 . . . . 0.0 111.733 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 52.4 mt -120.57 110.4 16.4 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.539 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -117.63 117.52 29.6 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.918 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 84.0 mt . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -110.52 123.47 50.0 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 70.8 t -115.95 125.49 73.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -118.17 129.63 55.63 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 42.3 tp -126.39 122.63 35.89 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.815 0.34 . . . . 0.0 110.389 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -129.92 118.33 21.5 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.603 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.493 1.703 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -113.62 122.49 47.35 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 61.1 t -118.9 122.32 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.42 130.51 56.01 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 118.276 0.489 . . . . 0.0 111.622 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 48.7 mt -120.83 109.87 15.66 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -117.3 117.2 28.87 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.108 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -107.88 123.84 49.21 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 69.3 t -115.7 125.77 72.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -118.05 130.02 55.91 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.369 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 41.5 tp -126.29 122.99 37.07 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.757 0.313 . . . . 0.0 110.698 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -130.98 116.22 17.54 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.553 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -114.15 122.09 45.75 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.03 122.5 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.88 130.76 55.91 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 120.771 0.319 . . . . 0.0 111.847 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.4 mt -126.94 116.67 21.15 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -120.03 112.24 18.9 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.1 mm . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.389 -178.899 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -112.31 123.03 49.37 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 m -116.44 125.34 73.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -118.81 129.64 55.34 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.38 122.12 23.31 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.095 0.474 . . . . 0.0 110.481 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -120.73 115.33 23.11 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 mm . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.402 -179.03 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -114.18 122.41 46.73 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 33.4 m -119.3 121.85 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.999 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.27 130.29 55.34 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.796 0.331 . . . . 0.0 111.765 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 87.8 mt -126.49 119.08 26.29 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.199 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -122.47 113.11 18.88 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 mm . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.365 -179.082 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 89.3 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -111.75 123.4 50.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 120.016 -0.674 . . . . 0.0 109.228 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.413 HG22 ' HA ' ' I' ' 3' ' ' VAL . 1.9 m -116.22 125.37 73.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 176.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -118.77 129.4 55.23 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 mp -133.09 121.72 23.07 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.812 0.339 . . . . 0.0 110.32 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -120.21 114.5 22.01 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 26.4 mm . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.546 -179.022 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -113.97 122.23 46.32 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . 0.413 ' HA ' HG22 ' G' ' 3' ' ' VAL . 32.8 m -119.18 121.49 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 C-N-CA 120.269 -0.572 . . . . 0.0 109.904 176.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.51 130.26 55.11 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 120.82 0.343 . . . . 0.0 111.896 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 86.1 mt -125.8 120.16 29.83 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -122.92 112.53 17.95 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 19.3 mm . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.305 -179.016 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.08 124.22 51.1 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 m -115.62 125.24 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -119.11 129.67 55.17 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.234 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.86 122.57 23.39 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -121.15 112.55 18.81 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 mm . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.555 -178.789 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 121.247 0.546 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.98 122.13 46.0 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 28.3 m -119.06 122.33 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.89 130.88 55.97 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 120.824 0.345 . . . . 0.0 111.801 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 87.6 mt -127.15 116.85 21.29 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -120.17 112.22 18.82 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 22.0 mm . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.372 -178.884 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 93.7 mt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -112.57 123.06 49.45 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 2.0 m -116.54 125.34 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -118.79 129.5 55.27 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.07 122.18 23.76 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.07 0.462 . . . . 0.0 110.462 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -120.81 115.39 23.19 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 25.3 mm . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.503 -178.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -114.45 122.43 46.58 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 33.9 m -119.21 121.88 67.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 C-N-CA 120.443 -0.503 . . . . 0.0 109.983 176.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.29 130.25 55.3 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 87.5 mt -126.49 118.77 25.6 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -122.07 113.06 19.01 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 19.8 mm . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.357 -179.125 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 88.9 mt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -111.59 123.45 50.24 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 120.011 -0.675 . . . . 0.0 109.363 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' U' U ' 3' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' W' ' 3' ' ' VAL . 2.0 m -116.2 125.27 73.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 176.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -118.74 129.45 55.26 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 mp -132.88 122.07 23.84 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.939 0.4 . . . . 0.0 110.428 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -120.62 114.2 21.36 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 26.2 mm . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.504 -178.902 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -113.88 122.54 47.33 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 3' ' ' VAL . . . . . 0.456 ' HA ' HG22 ' U' ' 3' ' ' VAL . 32.6 m -118.95 121.32 66.56 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.031 176.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.21 130.15 55.34 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 120.72 0.295 . . . . 0.0 111.744 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 86.1 mt -125.92 120.11 29.54 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -122.78 112.6 18.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.397 -179.04 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 85.4 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -109.61 124.22 50.78 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 m -115.47 125.23 72.62 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -119.09 129.73 55.22 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.275 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -134.02 122.59 23.23 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -121.24 112.85 19.13 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.434 -178.87 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.409 HG23 HD13 ' A' ' 1' ' ' ILE . 84.5 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.95 122.34 46.66 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -118.81 123.02 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -117.94 130.95 56.53 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 120.895 0.379 . . . . 0.0 111.107 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.3 mp -112.35 110.13 20.17 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.607 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -126.68 108.33 10.99 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.3 pt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.88 -178.62 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 84.5 mt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -111.5 123.44 50.22 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -116.23 125.72 73.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -118.21 130.03 55.84 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.458 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 10.1 mp -114.11 120.81 41.81 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -139.09 110.11 6.81 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.473 0.692 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.404 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 85.2 mt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.8 122.49 47.21 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -119.16 122.84 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -117.8 131.05 56.62 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.313 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 9.3 mp -112.01 111.52 22.49 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.365 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -128.88 108.11 10.17 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 40.5 pt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.754 -178.493 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 89.2 mt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -110.93 123.76 50.79 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -116.0 125.77 73.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -118.17 130.06 55.88 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.5 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 10.3 mp -113.53 120.84 42.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.725 0.297 . . . . 0.0 110.274 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -139.53 109.35 6.33 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.673 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.618 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.549 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 84.9 mt . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -113.67 122.8 48.27 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 120.499 -0.48 . . . . 0.0 109.8 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -119.11 122.95 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 176.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.0 131.13 56.51 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.299 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 9.5 mp -111.89 111.14 21.88 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.593 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -129.02 107.33 9.52 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 36.5 pt . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.574 -178.529 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 93.6 mt . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -109.85 124.12 50.76 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -115.45 125.67 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -117.97 130.05 55.97 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.604 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 10.3 mp -112.19 122.21 47.11 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.817 0.341 . . . . 0.0 110.459 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -142.48 109.36 5.47 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 pt . . . . . 0 C--O 1.219 -0.551 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.39 -179.031 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -113.83 122.4 46.94 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -118.82 122.98 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -117.81 130.95 56.59 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 120.878 0.37 . . . . 0.0 111.172 178.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mp -112.58 108.58 17.72 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.807 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -124.94 108.41 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 50.7 pt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.882 -178.636 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 87.1 mt . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -111.35 123.4 50.14 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -116.15 125.64 73.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -118.26 130.15 55.88 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.399 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mp -113.99 120.9 42.23 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -139.01 109.8 6.69 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.034 0.445 . . . . 0.0 109.842 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 117.915 -1.04 . . . . 0.0 110.436 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 87.1 mt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -113.58 122.5 47.43 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 57.6 t -119.06 122.75 70.05 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -117.95 131.12 56.54 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.36 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mp -111.75 112.22 23.74 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.205 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -129.08 107.51 9.64 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 38.9 pt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.949 -178.483 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 89.5 mt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -110.74 123.79 50.73 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 61.4 t -116.14 125.73 73.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -118.07 130.22 56.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.562 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 10.2 mp -113.54 121.46 44.3 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.728 0.299 . . . . 0.0 110.398 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -140.1 110.3 6.56 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.874 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.475 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 83.9 mt . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -113.57 122.71 48.04 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.945 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 62.7 t -118.91 123.05 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -117.95 130.84 56.45 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.308 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 mp -111.74 111.61 22.71 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.762 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -129.59 107.81 9.74 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 39.1 pt . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.754 -178.422 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 92.4 mt . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -109.74 124.07 50.62 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -115.61 125.81 72.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -118.01 130.39 56.15 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.507 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mp -112.4 122.23 47.11 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.746 0.308 . . . . 0.0 110.318 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -142.51 109.91 5.69 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 pt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.337 -179.038 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.402 HD11 HG23 ' A' ' 1' ' ' ILE . 97.2 mt . . . . . 0 N--CA 1.494 1.727 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -113.02 122.77 48.6 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.0 t -118.64 122.83 70.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.458 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.26 131.49 56.35 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 120.546 0.212 . . . . 0.0 111.529 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.7 mt -129.94 127.52 40.25 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.845 0.355 . . . . 0.0 110.777 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -130.41 106.58 8.64 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.48 -0.934 . . . . 0.0 108.48 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.43 HD12 HG23 ' A' ' 7' ' ' ILE . 54.7 mt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.817 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -111.15 122.91 49.08 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 18.3 t -116.53 125.75 73.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -118.27 129.1 55.27 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -132.74 121.21 22.72 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.098 0.475 . . . . 0.0 111.99 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -122.19 106.99 11.64 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.185 177.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . 0.524 ' N ' ' CD1' ' C' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.559 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -112.47 122.96 49.19 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -118.9 122.43 69.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.466 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.54 131.13 56.23 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 120.594 0.235 . . . . 0.0 111.609 178.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 19.5 mt -129.97 125.48 35.49 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.611 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -129.29 104.92 7.79 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 7' ' ' ILE . . . . . 0.423 HD12 HG23 ' E' ' 7' ' ' ILE . 51.2 mt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.892 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 77.9 mt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -110.21 122.79 48.48 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 19.1 t -116.33 125.69 73.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -117.94 128.89 55.24 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mp -132.23 121.18 23.24 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.176 0.512 . . . . 0.0 111.931 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -122.48 105.69 10.37 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.388 177.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 7' ' ' ILE . . . . . 0.512 ' CD1' ' N ' ' G' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.694 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 1' ' ' ILE . . . . . 0.43 HD11 HG23 ' I' ' 1' ' ' ILE . 96.6 mt . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -111.1 122.85 48.94 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 59.4 t -118.53 122.15 68.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.364 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -118.43 131.14 56.28 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 18.9 mt -130.92 123.28 28.57 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.664 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -127.24 104.22 7.83 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 7' ' ' ILE . . . . . 0.407 HD12 HG23 ' I' ' 7' ' ' ILE . 48.1 mt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.988 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 84.1 mt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -107.26 123.49 48.39 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 21.8 t -116.18 125.79 73.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -117.83 129.34 55.6 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -131.75 126.29 34.09 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.757 0.313 . . . . 0.0 111.295 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -127.82 104.58 7.91 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' K' K ' 7' ' ' ILE . . . . . 0.503 ' CD1' ' N ' ' K' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 118.11 -0.948 . . . . 0.0 110.522 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' O' O ' 1' ' ' ILE . . . . . 0.402 HD11 HG23 ' O' ' 1' ' ' ILE . 97.4 mt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -113.08 122.83 48.75 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.62 122.75 70.22 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.45 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.28 131.58 56.34 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 120.608 0.242 . . . . 0.0 111.542 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 26.9 mt -129.94 128.45 42.15 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.88 0.372 . . . . 0.0 110.78 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -131.57 106.63 8.31 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' O' O ' 7' ' ' ILE . . . . . 0.436 HG23 HD12 ' O' ' 7' ' ' ILE . 55.0 mt . . . . . 0 C--O 1.218 -0.578 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.89 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 81.2 mt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -111.44 122.85 48.93 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 18.3 t -116.76 125.57 73.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -118.35 129.1 55.24 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mp -132.81 119.96 20.95 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 121.112 0.482 . . . . 0.0 112.068 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -120.7 106.93 12.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.103 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Q' Q ' 7' ' ' ILE . . . . . 0.529 ' N ' ' CD1' ' Q' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.538 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -112.96 122.9 49.03 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 60.7 t -118.53 122.4 69.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.644 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -118.52 131.16 56.24 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 120.676 0.274 . . . . 0.0 111.404 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 19.8 mt -129.68 126.39 38.2 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.587 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -130.12 104.93 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 177.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 7' ' ' ILE . . . . . 0.435 HG23 HD12 ' S' ' 7' ' ' ILE . 47.1 mt . . . . . 0 N--CA 1.469 0.517 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.835 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 78.2 mt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -110.39 123.11 49.25 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 19.9 t -116.71 125.74 73.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -117.96 128.81 55.15 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -132.11 121.34 23.63 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 121.095 0.474 . . . . 0.0 111.734 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -122.6 105.45 10.11 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.259 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' U' U ' 7' ' ' ILE . . . . . 0.513 ' CD1' ' N ' ' U' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.678 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 1' ' ' ILE . . . . . 0.407 HD11 HG23 ' W' ' 1' ' ' ILE . 96.4 mt . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -111.01 123.18 49.68 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -118.57 122.41 69.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.39 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -118.3 130.92 56.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 120.537 0.208 . . . . 0.0 111.314 178.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 18.5 mt -130.68 122.74 27.89 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.603 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -126.97 103.98 7.76 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 7' ' ' ILE . . . . . 0.406 HD12 HG23 ' W' ' 7' ' ' ILE . 51.7 mt . . . . . 0 N--CA 1.469 0.521 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.129 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -107.22 123.44 48.29 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.18 125.8 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -117.69 129.47 55.74 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -131.79 127.43 36.67 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.805 0.336 . . . . 0.0 111.09 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -128.96 104.57 7.67 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Y' Y ' 7' ' ' ILE . . . . . 0.507 ' CD1' ' N ' ' Y' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.458 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.401 ' O ' ' CG2' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.322 0.582 . . . . 0.0 109.524 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -114.33 122.16 45.83 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 56.2 t -118.11 121.66 67.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.66 131.42 56.17 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 120.68 0.276 . . . . 0.0 111.182 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.7 mt -119.52 114.84 22.89 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -124.99 108.58 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 117.895 -1.05 . . . . 0.0 110.337 -179.078 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -112.15 123.67 50.76 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 120.189 -0.604 . . . . 0.0 109.438 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 65.5 t -116.22 124.84 72.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -119.16 129.67 55.13 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 50.6 tp -122.3 123.44 41.42 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.793 0.33 . . . . 0.0 110.534 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -135.0 113.63 11.67 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 41.7 pt . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.489 -179.521 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' E' E ' 1' ' ' ILE . . . . . 0.435 HG21 HD11 ' E' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -114.54 122.82 47.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.16 121.51 67.4 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -118.97 130.83 55.9 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.045 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 mt -119.18 115.51 24.37 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.33 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -126.63 108.68 11.33 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 mt . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.24 -179.122 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -111.47 123.65 50.66 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.733 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 66.0 t -116.22 124.69 72.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -119.02 129.51 55.17 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 55.1 tp -122.02 121.9 38.08 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 120.945 0.403 . . . . 0.0 110.473 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -133.71 112.5 11.44 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.467 178.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 46.2 pt . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.577 -179.565 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' I' I ' 1' ' ' ILE . . . . . 0.47 HD11 HG21 ' I' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -114.1 122.96 48.45 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.52 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -118.02 121.44 67.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.89 130.32 55.67 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.23 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 50.4 mt -118.47 114.81 23.43 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.641 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -125.9 107.94 10.96 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.24 -179.03 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 93.5 mt . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -108.52 123.87 49.56 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.472 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 66.0 t -115.77 124.93 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -118.88 129.52 55.24 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 tp -121.96 121.84 37.99 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 120.789 0.328 . . . . 0.0 110.359 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -135.11 111.38 9.68 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 pt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.458 -179.223 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' O' O ' 1' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' O' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.389 0.614 . . . . 0.0 109.599 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -114.15 122.25 46.24 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 56.2 t -118.17 121.94 68.42 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.77 131.53 56.12 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.624 0.249 . . . . 0.0 111.212 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 64.1 mt -119.61 115.43 23.97 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -125.81 107.96 11.01 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.47 0.548 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.237 -178.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' Q' Q ' 1' ' ' ILE . . . . . 0.406 HD13 HG21 ' Q' ' 1' ' ' ILE . 91.2 mt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -112.11 123.96 51.39 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.504 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 70.6 t -116.15 124.95 72.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -119.2 129.47 54.99 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 tp -122.06 123.16 40.95 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 120.725 0.298 . . . . 0.0 110.52 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -134.8 113.19 11.36 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 43.4 pt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.417 -179.563 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' S' S ' 1' ' ' ILE . . . . . 0.418 ' O ' ' CG2' ' S' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -114.16 122.9 48.23 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 60.6 t -118.25 121.52 67.38 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -119.05 130.7 55.76 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.16 177.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 55.2 mt -118.95 116.05 25.64 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.358 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -127.28 108.06 10.54 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.235 -179.08 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 93.0 mt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -110.93 123.69 50.64 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 120.211 -0.596 . . . . 0.0 109.82 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 67.0 t -116.18 124.59 72.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -118.84 129.29 55.14 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 55.2 tp -121.85 121.64 37.62 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.877 0.37 . . . . 0.0 110.691 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -133.43 112.49 11.62 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.622 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 pt . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.674 -179.491 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' W' W ' 1' ' ' ILE . . . . . 0.421 ' O ' ' CG2' ' W' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -113.78 123.09 49.0 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -118.0 121.43 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -118.66 130.21 55.73 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.079 177.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 50.4 mt -118.7 113.78 21.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -125.23 107.92 11.22 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 4.0 mt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.287 -179.22 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 89.9 mt . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -108.29 123.88 49.48 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.545 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 70.1 t -115.83 124.84 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -118.9 129.66 55.31 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 tp -121.94 120.96 35.97 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 120.75 0.31 . . . . 0.0 110.522 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -134.28 111.17 10.01 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 47.5 pt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.536 -179.179 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 121.577 0.703 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -113.97 122.98 48.6 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.339 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.5 t -117.73 121.9 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.78 131.81 56.12 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.412 HD21 ' N ' ' A' ' 6' ' ' GLN . 1.9 tm? -126.53 121.69 33.01 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.412 ' N ' HD21 ' A' ' 5' ' ' LEU . 51.6 tt0 -135.81 119.08 16.67 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.2 mt . . . . . 0 N--CA 1.469 0.513 0 CA-C-O 117.719 -1.134 . . . . 0.0 109.618 -179.72 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -111.75 124.16 51.75 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.474 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 84.0 t -115.7 125.13 72.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -118.41 129.03 55.18 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 13.5 mt -126.52 118.28 24.58 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.483 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -131.01 111.06 11.69 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.891 -1.052 . . . . 0.0 109.848 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.121 0.486 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -113.69 122.67 47.84 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.232 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 82.7 t -117.67 121.08 66.62 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -118.97 130.95 55.97 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 5' ' ' LEU . . . . . 0.413 HD21 ' N ' ' E' ' 6' ' ' GLN . 2.0 tm? -124.45 119.85 30.36 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.64 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 6' ' ' GLN . . . . . 0.413 ' N ' HD21 ' E' ' 5' ' ' LEU . 51.5 tt0 -133.08 119.49 20.06 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 7.5 mt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.765 179.869 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -110.84 124.11 51.41 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 94.2 t -115.8 125.11 72.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -117.88 128.83 55.21 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 17.2 mt -125.47 119.4 28.13 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.593 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -132.08 111.68 11.69 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.93 -1.034 . . . . 0.0 110.159 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -113.51 122.79 48.33 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 97.5 t -117.42 120.74 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.851 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -119.04 130.53 55.68 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 5' ' ' LEU . . . . . 0.416 ' CD1' ' C ' ' I' ' 5' ' ' LEU . 1.9 tm? -123.37 118.44 27.49 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.78 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 6' ' ' GLN . . . . . 0.4 ' N ' HD21 ' I' ' 5' ' ' LEU . 51.4 tt0 -131.06 120.03 22.84 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 7' ' ' ILE . . . . . 0.401 HD11 HG23 ' I' ' 7' ' ' ILE . 9.1 mt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.759 -1.115 . . . . 0.0 109.837 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -107.71 124.14 49.57 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 84.5 t -115.84 125.95 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -117.38 129.1 55.64 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 35.3 mt -123.38 121.9 36.94 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 -178.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -135.62 110.11 8.53 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.415 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 89.8 mt . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 121.435 0.636 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.86 122.98 48.67 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.365 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 70.3 t -117.72 121.69 68.04 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.668 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 177.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.85 131.76 56.09 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' O' O ' 5' ' ' LEU . . . . . 0.423 ' CD1' ' C ' ' O' ' 5' ' ' LEU . 1.9 tm? -126.17 121.91 34.14 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' O' O ' 6' ' ' GLN . . . . . 0.415 ' N ' HD21 ' O' ' 5' ' ' LEU . 51.8 tt0 -136.0 119.42 16.87 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 14.2 mt . . . . . 0 N--CA 1.47 0.529 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.57 -179.714 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' Q' Q ' 1' ' ' ILE . . . . . 0.403 ' H2 ' HG13 ' Q' ' 1' ' ' ILE . 95.8 mt . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -111.37 124.3 51.97 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.449 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -115.82 125.27 72.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -118.35 128.95 55.14 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 13.1 mt -126.29 118.5 25.23 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.413 -178.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -131.05 110.3 11.11 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.913 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 88.5 mt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -113.56 122.87 48.53 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 81.7 t -117.77 121.02 66.43 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -119.08 130.94 55.86 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 5' ' ' LEU . . . . . 0.414 ' CD1' ' C ' ' S' ' 5' ' ' LEU . 1.9 tm? -124.11 119.74 30.33 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.622 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 6' ' ' GLN . . . . . 0.403 ' N ' HD21 ' S' ' 5' ' ' LEU . 51.7 tt0 -133.12 119.46 19.97 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--O 1.218 -0.571 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.671 -179.894 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -110.91 124.18 51.59 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 90.4 t -115.83 125.38 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -117.88 128.86 55.23 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 16.5 mt -125.46 119.05 27.17 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.353 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -131.72 110.41 10.86 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.912 -1.042 . . . . 0.0 110.189 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -113.4 122.88 48.69 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 80.4 t -117.72 120.86 65.99 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.731 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -118.84 130.63 55.86 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 5' ' ' LEU . . . . . 0.409 ' CD1' ' C ' ' W' ' 5' ' ' LEU . 1.9 tm? -123.49 118.81 28.24 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -131.91 119.16 20.76 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 7' ' ' ILE . . . . . 0.407 HG23 HD11 ' W' ' 7' ' ' ILE . 9.9 mt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.752 -1.118 . . . . 0.0 109.773 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -107.76 123.91 49.25 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 87.1 t -115.81 126.08 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -117.16 129.29 55.86 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 34.5 mt -123.52 121.52 35.87 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -178.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -135.42 109.2 8.06 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.326 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 96.0 mt . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -114.34 122.49 46.86 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.7 t -118.29 122.12 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.196 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.51 131.52 55.58 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.2 mt -121.92 112.46 18.33 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -123.12 105.5 9.98 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 mm . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.542 -179.47 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 121.355 0.598 . . . . 0.0 109.88 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -110.42 123.39 49.79 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.33 125.07 72.46 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -118.73 129.19 55.13 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 53.0 tp -123.32 123.7 41.31 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 121.246 -0.182 . . . . 0.0 110.857 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -132.81 105.57 7.22 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . 0.421 HG23 HD13 ' C' ' 7' ' ' ILE . 46.6 mm . . . . . 0 C--O 1.218 -0.585 0 CA-C-O 117.62 -1.181 . . . . 0.0 110.545 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 1' ' ' ILE . . . . . 0.437 HD11 HG23 ' E' ' 1' ' ' ILE . 96.2 mt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -113.36 122.63 47.95 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 49.2 t -118.56 121.19 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.904 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -119.37 130.75 55.49 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.673 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 64.2 mt -121.11 111.55 17.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.35 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -121.68 108.14 13.19 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 8.6 mm . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.578 -179.473 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 121.161 0.505 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -110.26 123.99 50.81 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 176.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -115.68 124.79 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -118.49 129.4 55.35 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 52.9 tp -124.06 123.12 39.65 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.447 0.165 . . . . 0.0 111.173 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -132.1 104.7 6.94 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 7' ' ' ILE . . . . . 0.448 HG23 HD13 ' G' ' 7' ' ' ILE . 45.4 mm . . . . . 0 C--O 1.218 -0.587 0 CA-C-O 117.676 -1.154 . . . . 0.0 110.66 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 1' ' ' ILE . . . . . 0.436 HD11 HG23 ' I' ' 1' ' ' ILE . 96.8 mt . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -113.34 123.1 49.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -118.72 121.22 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.135 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.39 130.21 55.2 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.654 -0.419 . . . . 0.0 112.057 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 55.9 mt -120.29 110.52 16.66 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.4 0.438 . . . . 0.0 110.48 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -120.81 106.84 12.05 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 8.5 mm . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.661 -179.27 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 1.9 tt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -108.75 124.61 50.85 Favored 'General case' 0 N--CA 1.462 0.126 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 56.0 t -115.22 125.41 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.26 129.67 55.61 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 46.9 tp -124.82 122.41 37.34 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.507 0.194 . . . . 0.0 110.769 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -132.72 104.9 6.86 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' K' K ' 7' ' ' ILE . . . . . 0.445 HG23 HD13 ' K' ' 7' ' ' ILE . 43.6 mm . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 117.761 -1.114 . . . . 0.0 110.625 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -114.17 123.17 48.94 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 46.7 t -118.9 121.89 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.137 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -119.11 131.7 55.93 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 78.6 mt -121.6 112.01 17.93 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -122.74 105.58 10.18 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 mm . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.531 -179.703 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 121.189 0.518 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -110.19 123.94 50.68 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -115.52 124.73 72.3 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.63 129.27 55.22 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 51.5 tp -123.58 123.09 39.82 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.468 0.175 . . . . 0.0 110.768 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -132.14 105.54 7.43 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Q' Q ' 7' ' ' ILE . . . . . 0.421 HD13 HG23 ' Q' ' 7' ' ' ILE . 45.5 mm . . . . . 0 C--O 1.218 -0.604 0 CA-C-O 117.716 -1.135 . . . . 0.0 110.471 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -113.93 122.61 47.5 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 50.8 t -118.31 121.45 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.94 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.51 130.62 55.28 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 69.0 mt -121.13 113.21 19.68 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.186 0.303 . . . . 0.0 110.234 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -123.32 107.84 12.1 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 8.0 mm . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.67 -179.369 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 1.5 tt . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 121.345 0.593 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -109.88 124.01 50.6 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -115.51 124.76 72.34 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -118.37 129.51 55.47 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 51.4 tp -124.49 123.03 39.25 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 121.179 -0.209 . . . . 0.0 110.956 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -132.0 104.48 6.85 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' U' U ' 7' ' ' ILE . . . . . 0.41 HG23 HD13 ' U' ' 7' ' ' ILE . 45.1 mm . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 117.804 -1.093 . . . . 0.0 110.679 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 1' ' ' ILE . . . . . 0.402 HD11 HG23 ' W' ' 1' ' ' ILE . 96.8 mt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -112.06 122.79 48.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -118.31 121.33 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.32 130.12 55.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 60.7 mt -120.78 110.7 16.68 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.374 0.421 . . . . 0.0 110.507 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -120.88 107.48 12.75 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 8.9 mm . . . . . 0 C--O 1.218 -0.563 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.703 -179.424 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 1.9 tt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -108.6 124.83 51.1 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.68 125.03 72.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -118.06 130.15 55.98 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 46.3 tp -124.67 121.74 35.54 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.433 0.159 . . . . 0.0 110.64 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -132.04 104.42 6.81 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 44.3 mm . . . . . 0 C--O 1.217 -0.607 0 CA-C-O 117.773 -1.108 . . . . 0.0 110.652 179.902 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 84.2 mt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -113.34 123.12 49.37 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.4 t -118.23 122.78 70.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.25 130.36 56.01 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mt -140.08 115.83 10.2 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.066 0.46 . . . . 0.0 110.947 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -114.77 106.49 14.26 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.6 pt . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.557 -179.351 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 1' ' ' ILE . . . . . 0.422 HD13 HG23 ' C' ' 1' ' ' ILE . 97.0 mt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -110.56 124.4 51.77 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -115.66 125.62 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -117.99 128.64 54.99 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mt -136.74 126.81 26.09 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 120.791 0.329 . . . . 0.0 110.826 -178.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -125.17 115.01 19.76 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.949 -179.175 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 84.9 mt . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -112.58 123.46 50.34 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.07 122.46 69.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.35 129.91 55.7 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 6.2 mt -138.9 115.12 10.32 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.124 0.488 . . . . 0.0 111.088 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -113.78 107.24 15.47 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.039 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 pt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.706 -179.047 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -110.1 124.57 51.74 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -115.4 125.49 72.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -118.17 128.5 54.78 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 mt -136.26 127.25 27.74 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.742 0.306 . . . . 0.0 110.811 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -125.58 113.5 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.096 -0.954 . . . . 0.0 109.981 -179.364 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 85.8 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -111.04 123.64 50.58 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 48.5 t -117.8 122.05 68.84 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.44 129.71 55.55 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 mt -138.39 114.95 10.52 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.232 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -113.24 105.55 13.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.323 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 pt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.108 -0.949 . . . . 0.0 110.652 -179.33 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -107.68 124.88 50.64 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 61.1 t -115.02 125.34 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.17 128.63 54.9 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 mt -136.62 126.63 26.02 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.447 0.165 . . . . 0.0 110.559 -178.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -125.01 111.11 15.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.02 -179.276 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -113.0 123.01 49.35 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 45.9 t -118.14 122.68 70.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -118.22 130.01 55.82 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mt -139.47 117.66 11.91 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.164 0.507 . . . . 0.0 111.082 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -116.25 106.23 13.45 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 pt . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.488 -179.444 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' Q' Q ' 1' ' ' ILE . . . . . 0.414 HD13 HG23 ' Q' ' 1' ' ' ILE . 96.2 mt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -110.79 124.51 52.16 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -115.56 125.48 72.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -118.06 128.33 54.65 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mt -136.72 127.1 26.61 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -125.69 114.72 19.03 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.945 -179.209 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 88.0 mt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -112.15 123.33 50.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.07 122.33 69.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.33 129.8 55.65 Favored 'General case' 0 N--CA 1.433 -1.285 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 mt -138.42 115.8 11.18 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.143 0.497 . . . . 0.0 111.262 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -114.69 107.12 15.04 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.109 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 23.7 pt . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.681 -179.189 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' U' U ' 1' ' ' ILE . . . . . 0.41 HD13 HG23 ' U' ' 1' ' ' ILE . 96.6 mt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -110.15 124.6 51.85 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.34 125.46 72.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.22 128.25 54.52 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mt -136.38 127.22 27.46 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.758 0.313 . . . . 0.0 110.895 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -125.86 113.43 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.955 -179.4 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 89.2 mt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -110.77 123.48 50.16 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -117.7 122.02 68.82 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.39 129.56 55.48 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 mt -138.44 114.78 10.35 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.069 0.461 . . . . 0.0 111.202 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -113.43 105.8 13.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.429 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' W' W ' 7' ' ' ILE . . . . . 0.421 ' OXT' ' O ' ' Y' ' 6' ' ' GLN . 19.3 pt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.738 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -107.69 124.88 50.65 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -115.09 125.21 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -118.21 128.84 55.08 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 mt -136.77 127.13 26.56 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.785 -0.188 . . . . 0.0 110.603 -178.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Y' Y ' 6' ' ' GLN . . . . . 0.421 ' O ' ' OXT' ' W' ' 7' ' ' ILE . 50.8 tt0 -125.49 111.58 15.24 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.003 -179.259 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -112.85 123.13 49.61 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.3 t -118.42 122.66 70.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.79 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -117.97 130.44 56.2 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.532 0.206 . . . . 0.0 110.667 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.4 mt -128.21 123.58 34.6 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.032 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -129.51 106.45 8.76 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.0 mt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.189 -179.332 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 1' ' ' ILE . . . . . 0.445 ' H2 ' HG12 ' E' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -112.25 123.72 50.9 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 86.2 t -115.73 125.71 72.99 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -117.69 128.6 55.06 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 41.5 tp -129.3 113.83 15.49 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.653 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -121.13 113.65 20.32 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.879 -178.547 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' E' E ' 1' ' ' ILE . . . . . 0.445 HG12 ' H2 ' ' C' ' 1' ' ' ILE . 96.8 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -113.49 123.24 49.56 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 84.3 t -118.69 122.52 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.27 130.08 55.84 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.841 177.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 mt -127.87 120.45 27.77 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -178.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -126.59 106.37 9.37 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 7' ' ' ILE . . . . . 0.418 HD12 HG21 ' E' ' 7' ' ' ILE . 80.9 mt . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.162 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 1' ' ' ILE . . . . . 0.438 ' H2 ' HG12 ' I' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -112.0 123.76 50.95 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 176.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 89.1 t -115.67 125.73 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -117.84 128.58 54.98 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 41.5 tp -128.99 113.97 15.83 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.729 0.299 . . . . 0.0 110.722 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -120.93 111.05 17.03 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 21.3 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.911 -178.869 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' I' I ' 1' ' ' ILE . . . . . 0.438 HG12 ' H2 ' ' G' ' 1' ' ' ILE . 96.7 mt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -113.35 123.3 49.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 79.7 t -118.67 122.77 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.36 129.77 55.62 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 117.752 0.251 . . . . 0.0 111.338 177.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 mt -127.36 119.06 25.37 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.291 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -125.28 106.38 9.81 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 7' ' ' ILE . . . . . 0.412 HD12 HG21 ' I' ' 7' ' ' ILE . 84.2 mt . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.192 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 108.939 -0.764 . . . . 0.0 108.939 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.84 123.76 50.73 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 88.8 t -115.72 125.71 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.01 129.1 55.38 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 42.0 tp -129.32 115.41 17.54 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.532 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -122.8 107.31 11.74 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 45.0 mt . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.573 -178.933 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 97.1 mt . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -112.64 123.16 49.68 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 90.6 t -118.38 122.73 70.27 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -118.06 130.59 56.24 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 120.528 0.204 . . . . 0.0 110.745 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 mt -128.43 123.28 33.34 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.917 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -128.89 106.57 8.99 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.077 -179.338 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' Q' Q ' 1' ' ' ILE . . . . . 0.432 ' H2 ' HG12 ' S' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -112.37 123.6 50.65 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 85.7 t -115.64 125.79 72.94 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -117.98 128.56 54.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 38.6 tp -128.98 114.16 16.08 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.571 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -121.26 113.55 20.1 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 17.7 mt . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.901 -178.505 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' S' S ' 1' ' ' ILE . . . . . 0.432 HG12 ' H2 ' ' Q' ' 1' ' ' ILE . 97.0 mt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -113.47 123.32 49.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 82.3 t -118.64 122.63 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -118.37 130.09 55.8 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 117.721 0.237 . . . . 0.0 110.892 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 mt -128.21 120.87 28.11 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -126.92 106.66 9.46 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 79.2 mt . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.17 -179.267 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' U' U ' 1' ' ' ILE . . . . . 0.41 ' H2 ' HG12 ' W' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -112.03 123.73 50.89 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 85.1 t -115.64 125.8 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -117.84 128.6 55.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 40.7 tp -129.27 113.89 15.57 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.724 0.297 . . . . 0.0 110.73 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -120.82 111.14 17.18 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.912 -178.824 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' W' W ' 1' ' ' ILE . . . . . 0.41 HG12 ' H2 ' ' U' ' 1' ' ' ILE . 97.0 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -113.41 123.69 50.67 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.32 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 82.3 t -118.54 122.64 69.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 176.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.23 129.52 55.53 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 117.777 0.262 . . . . 0.0 111.023 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 mt -127.77 119.84 26.62 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.149 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -126.08 106.71 9.78 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 82.2 mt . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.313 -179.39 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -110.97 123.91 51.11 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 89.7 t -115.57 125.85 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -118.11 129.18 55.39 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 41.6 tp -129.64 114.96 16.67 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.553 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -122.18 107.5 12.23 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 42.4 mt . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.792 -1.099 . . . . 0.0 109.497 -178.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.0 tt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.633 0.73 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -113.94 122.8 48.08 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.2 t -118.12 122.21 69.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -118.55 131.08 56.22 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-O 120.723 0.297 . . . . 0.0 111.633 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.4 mt -127.02 122.97 35.95 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.02 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -126.88 108.07 10.66 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.8 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.111 -0.947 . . . . 0.0 109.693 -179.071 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 94.7 mt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -112.37 123.13 49.61 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 34.6 m -116.48 125.43 73.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 177.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -118.85 129.33 55.16 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.59 116.97 18.08 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.975 0.417 . . . . 0.0 110.745 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -115.35 113.35 23.68 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 23.8 mm . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 118.154 -0.927 . . . . 0.0 109.816 -179.208 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.367 0.604 . . . . 0.0 109.896 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.94 123.21 49.2 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 62.6 t -117.75 121.08 66.58 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.218 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -119.4 130.13 55.15 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.701 178.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 72.9 mt -126.48 123.29 37.48 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.856 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -127.32 108.57 10.97 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 63.1 mt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.022 -178.859 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -111.72 123.55 50.47 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 34.6 m -116.13 125.26 73.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -118.59 129.24 55.22 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.79 117.41 18.53 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.13 0.49 . . . . 0.0 111.177 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -115.97 111.14 19.94 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.487 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 118.174 -0.917 . . . . 0.0 109.945 -179.462 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.86 123.54 50.03 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 64.1 t -117.45 120.95 66.39 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.533 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -119.42 129.87 55.0 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.855 177.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 68.1 mt -126.54 122.6 35.59 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.861 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -125.9 107.98 11.0 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.333 -178.898 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 93.4 mt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -108.88 124.59 50.88 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 30.9 m -115.24 125.18 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.89 129.49 55.22 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.59 118.33 19.07 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -117.52 107.25 14.06 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 27.3 mm . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.135 -0.936 . . . . 0.0 109.713 -179.392 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 2.2 tt . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.619 0.723 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -113.77 122.82 48.25 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 61.3 t -118.03 122.22 69.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.6 131.15 56.19 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 120.725 0.298 . . . . 0.0 111.646 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 77.1 mt -126.97 123.52 37.34 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.014 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -127.66 107.82 10.23 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.771 -179.047 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 93.2 mt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -112.22 123.02 49.37 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 177.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 34.2 m -116.44 125.47 73.47 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -118.78 129.44 55.24 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.79 116.72 17.62 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.087 0.47 . . . . 0.0 110.736 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -114.99 113.01 23.54 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.074 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 24.5 mm . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.758 -179.374 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.473 0.654 . . . . 0.0 109.822 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.99 123.51 49.88 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.447 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 60.0 t -117.71 121.26 67.02 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.154 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -119.19 130.33 55.44 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.67 178.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 75.0 mt -126.51 123.26 37.38 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.874 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -127.28 108.46 10.88 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 63.3 mt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.169 -178.78 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 92.0 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -111.76 123.54 50.46 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 34.7 m -116.17 125.34 73.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -118.47 129.33 55.32 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.79 117.34 18.44 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.049 0.452 . . . . 0.0 111.329 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -116.01 111.28 20.12 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.519 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 mm . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.134 -0.936 . . . . 0.0 109.911 -179.485 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.359 0.599 . . . . 0.0 109.714 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.8 123.73 50.53 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 177.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.47 121.17 66.94 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.506 177.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -119.35 129.85 55.05 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.568 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 72.2 mt -126.78 121.81 33.01 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.971 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -125.64 108.26 11.39 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 62.4 mt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.358 -178.9 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 87.6 mt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -108.3 124.4 50.28 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 31.7 m -115.24 125.12 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.9 129.94 55.46 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.06 118.23 18.51 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 120.861 0.362 . . . . 0.0 110.97 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -117.2 107.95 15.07 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 27.5 mm . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.144 -0.931 . . . . 0.0 109.737 -179.54 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 72.3 mt . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -112.92 122.62 48.19 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.2 m -118.5 122.82 70.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.043 178.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.75 130.92 56.07 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 116.807 -0.179 . . . . 0.0 110.552 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -124.18 123.81 41.1 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.786 0.327 . . . . 0.0 110.698 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -135.95 110.58 8.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.779 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.7 pt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.476 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 1.4 tp . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.269 0.557 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -111.21 124.27 51.88 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 38.5 t -114.48 124.74 71.43 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -119.1 128.69 54.54 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 20.5 mt -128.31 123.02 32.97 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.671 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -136.48 107.31 6.63 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 mm . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.237 -179.574 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 60.1 mt . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -111.42 122.31 47.5 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 31.1 m -119.05 122.6 69.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -118.68 130.44 55.84 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 116.797 -0.183 . . . . 0.0 110.773 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 tp -123.1 122.01 37.42 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.198 0.311 . . . . 0.0 111.308 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -134.24 113.34 11.88 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.969 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 44.0 pt . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.755 179.801 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 121.078 0.466 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -110.05 124.25 51.14 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 36.8 t -114.57 124.61 71.39 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -118.97 128.63 54.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 22.3 mt -127.66 122.55 33.32 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.533 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -135.55 107.29 7.0 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 7' ' ' ILE . . . . . 0.424 HD12 HG23 ' G' ' 7' ' ' ILE . 19.3 mm . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.256 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 61.8 mt . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -111.92 122.44 47.79 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 32.6 m -119.19 122.53 69.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -118.6 130.59 55.96 Favored 'General case' 0 N--CA 1.436 -1.16 0 C-N-CA 121.167 -0.213 . . . . 0.0 110.841 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 53.9 tp -122.81 121.22 35.74 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.762 0.315 . . . . 0.0 111.547 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -133.17 113.53 12.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.19 178.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 43.0 pt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.833 179.859 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -107.93 124.68 50.49 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 175.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 30.0 t -114.05 124.73 70.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.79 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -118.8 128.47 54.49 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 mt -126.53 122.6 35.61 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -136.56 106.49 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' K' K ' 7' ' ' ILE . . . . . 0.429 HD12 HG23 ' K' ' 7' ' ' ILE . 18.0 mm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.18 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 71.9 mt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -112.53 122.52 47.94 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 33.9 m -118.62 122.49 69.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.61 131.04 56.19 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 116.768 -0.197 . . . . 0.0 110.561 178.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 tp -124.18 124.14 41.82 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.752 0.31 . . . . 0.0 110.767 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -136.55 111.1 8.59 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 44.7 pt . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.451 179.808 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 1.4 tp . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.438 0.637 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -110.76 124.51 52.13 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 40.3 t -114.87 124.62 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.8 128.85 54.85 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 177.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 18.0 mt -128.41 122.26 30.96 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.914 -178.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -135.96 107.93 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 16.3 mm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.137 -179.789 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 62.5 mt . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -112.05 122.61 48.23 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.01 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 31.3 m -118.96 122.59 69.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.16 177.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -118.71 130.48 55.85 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 121.131 -0.227 . . . . 0.0 110.765 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 55.7 tp -122.82 121.0 35.19 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.818 0.342 . . . . 0.0 111.161 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -133.29 113.07 12.2 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.842 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 44.1 pt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.607 179.925 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 121.053 0.454 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -109.02 124.35 50.59 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 38.6 t -114.8 124.5 71.52 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -118.6 128.77 54.86 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 21.3 mt -127.89 121.18 29.36 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.818 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -134.64 107.66 7.61 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 17.5 mm . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.198 -179.69 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 62.8 mt . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -110.87 122.47 47.93 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.424 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 31.4 m -119.14 122.57 69.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.371 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.37 130.3 55.92 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.764 178.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 54.5 tp -122.67 120.12 32.76 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.824 0.345 . . . . 0.0 111.384 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -132.11 113.19 13.03 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.118 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 43.3 pt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.801 179.815 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -107.6 124.46 49.97 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 34.2 t -114.38 125.0 71.58 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.819 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -118.69 128.97 55.02 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 37.6 mt -126.53 122.02 33.97 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.591 0.234 . . . . 0.0 110.465 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -136.17 106.94 6.59 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Y' Y ' 7' ' ' ILE . . . . . 0.416 HD12 HG23 ' Y' ' 7' ' ' ILE . 19.0 mm . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.218 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 92.4 mt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -114.09 122.4 46.75 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.2 t -119.03 121.79 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.26 131.17 55.74 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 120.545 0.212 . . . . 0.0 111.198 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.2 tp -116.89 120.63 39.07 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.67 107.14 9.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 pt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.735 -178.864 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -111.64 123.23 49.81 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 62.3 t -116.2 124.42 72.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -119.14 129.35 54.98 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' C' ' 5' ' ' LEU . 1.9 mm? -117.16 123.0 45.65 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -135.64 117.62 15.3 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.049 0.452 . . . . 0.0 109.923 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 117.811 -1.09 . . . . 0.0 110.494 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -113.77 122.32 46.74 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 64.1 t -119.09 121.41 66.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.51 130.63 55.29 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.149 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 60.8 tp -116.1 121.33 41.85 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -130.84 109.65 10.72 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 32.2 pt . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.699 -178.697 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -111.32 123.35 50.04 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 61.3 t -116.18 124.51 72.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -119.05 129.09 54.92 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 5' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' G' ' 5' ' ' LEU . 1.9 mm? -116.66 121.92 43.07 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 178.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -135.62 115.51 13.09 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.667 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 90.2 mt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -113.48 122.34 47.0 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 63.3 t -119.03 121.48 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -119.55 130.26 55.07 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.105 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 58.7 tp -115.25 120.89 41.21 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.823 0.344 . . . . 0.0 110.578 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -130.82 110.46 11.33 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 29.0 pt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.668 -178.806 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -110.42 123.58 50.14 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 67.0 t -115.82 124.78 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -118.91 129.22 55.07 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.276 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' K' K ' 5' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' K' ' 5' ' ' LEU . 1.7 mm? -116.09 121.76 43.12 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -137.52 114.1 10.34 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 2.0 pt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.391 -179.095 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' O' O ' 1' ' ' ILE . . . . . 0.416 HG21 HD11 ' O' ' 1' ' ' ILE . 92.3 mt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.82 122.23 46.42 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 66.3 t -118.93 121.72 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.1 131.15 55.9 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 120.469 0.176 . . . . 0.0 111.222 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 62.9 tp -116.96 120.68 39.17 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.8 107.78 9.66 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 47.4 pt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.669 -178.852 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 88.5 mt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -111.78 123.21 49.75 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -116.08 124.36 72.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -119.33 129.38 54.83 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 5' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' Q' ' 5' ' ' LEU . 1.9 mm? -117.14 123.22 46.2 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -135.93 117.67 15.05 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.036 0.446 . . . . 0.0 109.929 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 117.898 -1.048 . . . . 0.0 110.552 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 94.0 mt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -113.73 122.44 47.13 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 63.4 t -119.17 121.45 66.68 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.366 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.49 130.93 55.47 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.102 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 60.5 tp -116.58 121.39 41.61 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -130.91 110.13 11.05 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 32.7 pt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.717 -178.601 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 90.4 mt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -111.37 123.24 49.82 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -116.15 124.57 72.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -119.03 129.2 54.99 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' U' U ' 5' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' U' ' 5' ' ' LEU . 1.8 mm? -116.83 121.51 41.73 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -135.23 115.65 13.57 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.6 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 93.7 mt . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -113.3 122.44 47.41 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.811 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.0 121.55 67.1 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.47 130.15 55.09 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.851 -0.339 . . . . 0.0 110.834 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 58.3 tp -115.73 121.15 41.62 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.867 0.365 . . . . 0.0 110.652 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -131.15 111.21 11.76 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 29.7 pt . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.696 -178.721 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 91.8 mt . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -110.25 123.6 50.09 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 66.9 t -115.97 124.7 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -118.89 129.39 55.17 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.45 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Y' Y ' 5' ' ' LEU . . . . . 0.501 ' N ' ' CD2' ' Y' ' 5' ' ' LEU . 1.7 mm? -115.97 121.36 42.03 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -136.97 114.01 10.6 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.318 -179.024 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 82.1 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -113.44 122.88 48.66 Favored 'General case' 0 N--CA 1.438 -1.026 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -117.93 121.64 67.83 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -119.08 130.95 55.87 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.309 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.425 ' C ' ' CD1' ' A' ' 5' ' ' LEU . 2.7 tm? -121.83 118.56 29.28 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -133.74 119.01 18.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.6 pt . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.985 -179.493 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 93.1 mt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -111.32 123.64 50.62 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -115.78 124.97 72.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -119.03 129.6 55.2 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 72.3 mt -122.09 123.39 41.46 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -138.77 112.69 8.49 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.678 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.681 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 83.9 mt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -113.42 122.96 48.9 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.85 121.32 67.1 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -119.32 130.45 55.38 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.188 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 5' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' E' ' 5' ' ' LEU . 2.7 tm? -121.55 116.61 24.98 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -133.0 117.85 18.11 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 pt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.852 -179.462 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -110.94 123.88 51.02 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 59.8 t -115.75 124.78 72.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -118.66 129.54 55.36 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 73.0 mt -122.06 122.34 39.05 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -139.15 112.99 8.5 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.597 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 82.0 mt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -112.95 123.03 49.38 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -117.86 121.23 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -119.29 130.27 55.32 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.215 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -121.52 114.48 21.29 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -131.74 117.25 18.35 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.517 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 pt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.775 -179.318 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -110.17 124.16 51.05 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 63.8 t -115.46 125.07 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -118.62 129.79 55.51 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 76.6 mt -120.95 122.86 41.09 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -141.3 111.57 6.83 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 pt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.585 -179.032 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 82.2 mt . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.63 122.8 48.27 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.96 121.62 67.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.93 131.1 56.02 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-O 120.622 0.249 . . . . 0.0 111.249 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 5' ' ' LEU . . . . . 0.429 ' CD1' ' C ' ' O' ' 5' ' ' LEU . 2.7 tm? -122.08 118.46 28.78 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -133.88 119.25 18.91 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 44.7 pt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.957 -179.405 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -111.42 123.82 50.99 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.09 124.79 72.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -118.83 129.66 55.34 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 73.1 mt -121.87 123.42 41.7 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -138.77 112.59 8.43 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.676 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 83.5 mt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.51 123.04 49.05 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.9 121.32 67.08 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -119.27 130.57 55.49 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.199 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . 0.408 ' CD1' ' C ' ' S' ' 5' ' ' LEU . 2.7 tm? -122.01 116.63 24.64 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -133.13 118.27 18.5 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.278 0.561 . . . . 0.0 109.576 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 46.7 pt . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.703 -179.409 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 90.6 mt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -111.17 123.79 50.91 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 57.8 t -115.72 124.64 72.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -118.33 129.48 55.46 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 72.3 mt -121.77 121.86 38.21 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -138.77 112.7 8.5 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.625 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.568 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 81.8 mt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -112.98 123.05 49.42 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -117.71 121.16 66.79 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -119.28 130.23 55.31 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.103 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -121.89 114.45 21.04 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -131.78 117.86 19.14 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.72 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 42.7 pt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.801 -179.523 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 90.3 mt . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -110.26 123.99 50.8 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 64.7 t -115.61 125.04 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.39 129.81 55.63 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 76.8 mt -120.57 121.66 38.88 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -139.95 111.75 7.41 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 pt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.589 -179.11 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.504 ' O ' ' CD1' ' C' ' 1' ' ' ILE . 95.7 mt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -115.02 121.99 44.83 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.2 t -119.05 122.43 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.63 130.95 56.15 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.8 mt -122.47 118.14 27.63 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.616 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -127.02 105.97 8.96 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.203 -178.908 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -112.68 123.05 49.42 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 176.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 70.1 t -116.1 125.44 73.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -118.04 129.37 55.52 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 44.3 tp -126.21 124.83 41.3 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.822 0.344 . . . . 0.0 110.733 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -136.45 114.71 11.63 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.102 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.287 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 1' ' ' ILE . . . . . 0.412 HD13 HG21 ' E' ' 1' ' ' ILE . 81.1 mt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.88 122.11 46.03 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 44.1 t -119.11 122.13 68.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.77 130.41 55.78 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.934 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 62.7 mt -122.52 116.89 24.69 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.873 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -124.86 107.18 10.63 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 mt . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.351 -179.425 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -112.25 123.11 49.57 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.539 -0.864 . . . . 0.0 108.838 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 63.9 t -116.38 125.12 73.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -118.1 129.31 55.47 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 45.4 tp -126.2 124.59 40.79 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.986 0.422 . . . . 0.0 110.827 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -135.78 111.84 9.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.323 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.335 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 1' ' ' ILE . . . . . 0.414 HD13 HG21 ' I' ' 1' ' ' ILE . 68.5 mt . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -113.46 122.35 47.03 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 45.8 t -118.98 122.03 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.86 129.75 55.38 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.893 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 58.7 mt -122.26 112.82 18.61 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.052 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -120.81 106.82 12.03 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.553 -179.53 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.764 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.86 123.12 49.5 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 62.9 t -116.3 125.49 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -118.09 129.41 55.53 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 42.9 tp -126.68 124.52 40.02 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.885 0.374 . . . . 0.0 110.71 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -136.26 109.22 7.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.171 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.269 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 1' ' ' ILE . . . . . 0.493 ' O ' ' CD1' ' Q' ' 1' ' ' ILE . 92.3 mt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -115.11 122.11 45.09 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 42.2 t -119.04 122.3 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.53 131.0 56.23 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 76.2 mt -122.29 119.51 31.35 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -127.82 106.66 9.27 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.194 -178.761 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Q' Q ' 1' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' O' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -113.11 123.01 49.26 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 176.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 63.9 t -116.44 125.52 73.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.13 129.51 55.57 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 45.5 tp -126.49 124.73 40.73 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.753 0.311 . . . . 0.0 110.728 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -135.97 116.48 13.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.214 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Q' Q ' 7' ' ' ILE . . . . . 0.425 ' CD1' ' N ' ' Q' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.234 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 1' ' ' ILE . . . . . 0.445 HG23 ' O ' ' Q' ' 1' ' ' ILE . 75.3 mt . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -114.37 122.25 46.08 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 43.1 t -119.28 122.22 68.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.64 130.65 55.98 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.775 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 65.1 mt -122.35 116.9 24.85 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.815 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -125.29 106.92 10.21 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 mt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.222 -179.175 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' U' U ' 1' ' ' ILE . . . . . 0.427 ' CD1' ' O ' ' S' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -112.34 122.84 48.87 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 119.647 -0.821 . . . . 0.0 108.846 175.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 65.2 t -116.58 125.52 73.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -118.06 129.48 55.58 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 46.1 tp -126.35 123.79 38.8 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.904 0.383 . . . . 0.0 110.78 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -134.96 112.44 10.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.343 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.305 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 1' ' ' ILE . . . . . 0.434 HD13 HG21 ' W' ' 1' ' ' ILE . 70.6 mt . . . . . 0 N--CA 1.493 1.711 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -113.6 122.39 47.08 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 44.5 t -119.16 122.08 68.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 177.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.45 129.83 55.61 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 118.312 0.505 . . . . 0.0 111.719 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 62.6 mt -122.39 112.37 18.0 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.087 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -120.76 107.22 12.49 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 mt . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.517 -179.437 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -110.4 122.71 48.36 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 67.4 t -116.43 125.87 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -118.21 129.9 55.76 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 43.3 tp -126.56 123.99 38.96 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.891 0.377 . . . . 0.0 110.823 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -135.82 108.97 7.72 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.05 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.22 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -113.15 122.86 48.79 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.7 t -117.88 122.23 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.54 131.32 56.22 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 120.607 0.241 . . . . 0.0 111.18 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.32 112.87 9.41 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -112.43 113.44 25.63 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.016 -178.765 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.81 124.63 52.39 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -114.83 125.28 72.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -118.07 129.23 55.44 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.12 119.26 14.5 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.932 0.396 . . . . 0.0 110.036 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -120.87 112.23 18.53 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.098 -179.003 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.15 123.25 49.79 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 49.1 t -117.77 121.88 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -118.74 130.4 55.79 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-O 120.885 0.374 . . . . 0.0 111.107 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.91 113.25 11.35 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.793 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -113.92 115.25 27.38 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.055 -178.689 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 94.9 mt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -110.13 124.75 52.1 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 65.5 t -114.87 125.3 72.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -117.97 128.73 55.08 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.39 118.6 15.54 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.825 0.345 . . . . 0.0 110.119 -179.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -120.85 110.96 16.95 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.193 -179.243 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 1' ' ' ILE . . . . . 0.411 HD13 HG21 ' I' ' 1' ' ' ILE . 96.6 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -113.06 123.54 50.53 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 47.7 t -117.71 122.17 69.16 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -118.53 130.12 55.74 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.29 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.18 112.07 10.8 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.992 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -113.34 116.68 30.07 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.218 -178.623 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 95.1 mt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -107.71 125.3 51.21 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 65.0 t -114.7 125.5 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -118.11 129.37 55.5 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.35 119.2 16.24 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -178.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -122.53 108.57 13.3 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.15 -179.151 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -112.35 123.0 49.33 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 48.0 t -117.93 122.28 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.57 131.19 56.21 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 120.66 0.267 . . . . 0.0 111.135 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.12 112.52 9.27 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -111.97 113.69 26.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.088 -178.829 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 94.3 mt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.83 124.56 52.27 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 68.5 t -114.77 125.27 72.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.18 129.19 55.36 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.22 119.07 14.18 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -120.51 112.28 18.74 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.08 -179.028 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.34 123.33 49.86 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -117.89 121.95 68.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -118.69 130.35 55.79 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-O 120.849 0.357 . . . . 0.0 111.052 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.86 112.8 10.97 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.76 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -113.42 115.54 28.22 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.007 -178.57 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 93.3 mt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.17 124.81 52.23 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 67.2 t -114.93 125.4 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -118.0 128.78 55.12 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.67 118.46 15.1 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.889 0.376 . . . . 0.0 110.114 -179.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -120.63 111.21 17.36 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.234 -179.291 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -113.17 123.54 50.46 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -117.62 122.15 69.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -118.48 129.94 55.66 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.185 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.15 111.92 10.7 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.028 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -113.15 116.89 30.54 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 7' ' ' ILE . . . . . 0.409 HD12 HG21 ' W' ' 7' ' ' ILE . 4.4 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.12 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -107.6 125.06 50.85 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 67.1 t -114.71 125.42 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -117.87 129.62 55.76 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.6 119.86 16.76 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.798 0.333 . . . . 0.0 110.203 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -122.83 108.7 13.3 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.085 -0.96 . . . . 0.0 110.086 -179.131 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.527 0.68 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -113.9 122.66 47.68 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.5 t -118.02 121.77 68.09 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.53 131.56 56.22 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 120.662 0.268 . . . . 0.0 111.179 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.1 tp -120.11 121.51 39.0 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.312 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -129.39 116.72 19.46 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 177.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.5 pt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.893 -177.857 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -111.79 123.89 51.2 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.7 125.09 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.98 130.19 55.56 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 73.1 mt -121.83 125.22 45.99 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -138.32 115.74 11.2 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.51 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.368 0.604 . . . . 0.0 109.557 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -114.18 122.58 47.24 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.04 121.23 66.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.8 131.4 56.1 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-O 120.583 0.23 . . . . 0.0 111.216 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 62.8 tp -120.02 121.72 39.55 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.087 0.47 . . . . 0.0 110.828 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.8 116.34 18.58 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 44.5 pt . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.959 -177.891 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -111.23 124.08 51.5 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -115.54 125.04 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.8 129.96 55.52 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 73.0 mt -121.53 124.35 44.18 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.767 0.318 . . . . 0.0 110.145 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -137.54 115.55 11.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.544 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 1' ' ' ILE . . . . . 0.402 HG23 HD12 ' I' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -114.0 122.64 47.55 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 61.0 t -118.09 121.22 66.74 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -119.0 131.34 56.0 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.512 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 61.7 tp -119.76 121.2 38.64 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.023 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.43 115.37 17.4 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 39.6 pt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.076 -0.964 . . . . 0.0 111.023 -178.098 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -109.03 124.42 50.7 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 62.6 t -115.18 124.97 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -118.77 130.02 55.56 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 76.5 mt -120.66 123.48 42.88 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.846 0.355 . . . . 0.0 110.409 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -137.5 115.79 11.82 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.452 -178.727 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.487 0.661 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -113.87 122.59 47.48 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 62.5 t -117.98 121.76 68.08 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.46 131.53 56.26 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-O 120.655 0.264 . . . . 0.0 111.216 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 62.9 tp -120.1 121.55 39.09 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.307 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -129.39 116.68 19.39 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 48.6 pt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.92 -177.847 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -111.77 123.93 51.28 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -115.71 125.03 72.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.87 130.26 55.64 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 73.7 mt -121.88 125.24 45.98 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -138.32 115.77 11.23 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.471 0.585 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.496 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.334 0.587 . . . . 0.0 109.512 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -114.16 122.61 47.34 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.08 121.27 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.83 131.43 56.08 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 120.553 0.216 . . . . 0.0 111.15 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 63.0 tp -120.0 121.68 39.48 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.018 0.437 . . . . 0.0 110.831 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.83 116.34 18.56 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 44.8 pt . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.927 -177.871 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -111.18 124.1 51.52 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -115.49 125.07 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -118.83 130.05 55.55 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 72.9 mt -121.59 124.33 44.1 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 120.774 0.321 . . . . 0.0 110.146 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -137.53 115.51 11.56 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.571 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -113.95 122.71 47.8 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 60.1 t -118.12 121.27 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.93 131.26 56.03 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.36 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 61.9 tp -119.91 121.04 38.15 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.058 0.456 . . . . 0.0 110.99 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.36 115.44 17.55 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 39.9 pt . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.993 -1.003 . . . . 0.0 111.035 -178.083 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -108.92 124.46 50.71 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 61.5 t -115.19 124.96 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -118.68 130.04 55.62 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 76.1 mt -120.69 123.43 42.73 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 120.815 0.34 . . . . 0.0 110.389 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -137.48 115.99 12.01 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.454 -178.714 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 95.8 mt . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -113.46 122.79 48.36 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.4 t -118.32 122.77 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.16 131.58 56.39 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 121.023 0.439 . . . . 0.0 112.129 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.9 tp -118.68 121.71 40.77 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.489 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -137.77 107.15 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.468 0.437 0 CA-C-O 117.887 -1.054 . . . . 0.0 109.939 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 91.1 mt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -111.36 123.96 51.27 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 67.1 t -115.55 125.31 72.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.13 128.96 55.24 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 18.7 mt -123.75 111.54 16.27 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.392 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -127.38 115.2 18.58 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 pt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.111 -0.947 . . . . 0.0 110.283 -179.347 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.51 122.82 48.42 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -118.35 122.14 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -118.53 130.77 56.1 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 51.2 tp -117.81 120.77 38.92 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.234 178.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -136.57 107.46 6.66 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.469 0.505 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.837 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 87.9 mt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.46 124.11 51.15 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 74.1 t -115.36 125.27 72.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.583 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -117.96 128.74 55.09 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 23.2 mt -122.76 111.05 16.24 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.523 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -126.93 115.69 19.66 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.315 0.578 . . . . 0.0 109.467 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 pt . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.325 -179.198 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -113.1 122.78 48.57 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -118.25 122.0 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -118.45 130.7 56.1 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 53.4 tp -117.5 119.4 34.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.325 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -135.17 106.97 6.99 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.241 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 89.4 mt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -107.72 124.28 49.78 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 86.1 t -115.2 125.48 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -117.81 128.84 55.25 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 42.2 mt -121.3 111.31 17.2 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.598 0.237 . . . . 0.0 110.557 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -128.62 114.29 16.49 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 46.2 pt . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.497 -179.105 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 95.8 mt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -113.59 122.81 48.35 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -118.17 122.68 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.19 131.51 56.38 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-O 120.948 0.404 . . . . 0.0 112.021 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 50.6 tp -118.78 121.88 41.11 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.561 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -137.65 107.14 6.15 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.511 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.034 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 89.1 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -111.55 123.99 51.36 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 67.4 t -115.49 125.35 72.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -118.15 128.95 55.21 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 18.5 mt -123.77 111.3 15.98 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 121.135 -0.226 . . . . 0.0 110.443 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -127.07 114.65 18.03 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 pt . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.235 -179.368 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -113.72 122.83 48.31 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t -118.33 122.05 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -118.5 130.8 56.13 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 52.8 tp -117.97 120.66 38.51 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.207 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -136.48 107.33 6.64 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.91 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 1' ' ' ILE . . . . . 0.414 HG21 HD12 ' U' ' 1' ' ' ILE . 86.8 mt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.29 123.89 50.64 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -115.27 125.17 72.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -118.02 128.7 55.03 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 22.8 mt -122.98 110.61 15.59 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.541 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -126.37 115.75 20.12 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 45.8 pt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.397 -179.3 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -113.26 122.89 48.82 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -118.2 122.07 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -118.4 130.53 56.04 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 tp -117.71 119.23 34.3 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.313 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -135.14 106.99 7.01 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.413 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 1' ' ' ILE . . . . . 0.404 HG21 HD12 ' Y' ' 1' ' ' ILE . 86.3 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -107.73 124.13 49.56 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 82.3 t -115.37 125.61 72.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -117.88 129.07 55.41 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 43.4 mt -121.4 110.78 16.5 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.622 0.249 . . . . 0.0 110.495 -178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -128.15 114.12 16.6 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 46.7 pt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.34 -179.012 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -113.63 123.71 50.58 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.39 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.8 122.75 70.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.6 130.99 56.19 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 120.63 0.253 . . . . 0.0 110.886 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.66 108.99 7.81 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.845 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -106.46 111.54 24.15 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.8 mt . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.237 -179.421 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -111.33 123.08 49.48 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -116.59 125.69 73.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -118.62 129.48 55.34 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mp -135.59 128.9 32.04 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.805 0.336 . . . . 0.0 110.538 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -122.84 109.5 14.26 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.629 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 76.9 mt . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.36 179.872 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.56 124.29 52.0 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.64 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 45.4 t -117.79 122.7 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.45 130.56 56.03 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 120.95 0.405 . . . . 0.0 110.95 176.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.18 107.7 7.37 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -106.93 113.48 26.99 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.674 -0.41 . . . . 0.0 109.998 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 24.3 mt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.21 -179.235 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 93.2 mt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -110.91 123.37 50.02 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -115.98 126.09 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -118.53 129.43 55.35 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -135.92 128.49 30.64 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.702 0.287 . . . . 0.0 110.548 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -122.46 109.16 14.02 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.836 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 79.3 mt . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.442 179.866 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 93.7 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -113.84 124.25 51.78 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.053 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 42.8 t -117.75 122.59 70.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.484 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.39 130.17 55.83 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-O 120.961 0.41 . . . . 0.0 111.082 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.92 107.12 7.18 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.812 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -106.51 113.99 27.83 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.117 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.259 -179.257 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' K' K ' 1' ' ' ILE . . . . . 0.406 HG22 HD13 ' K' ' 1' ' ' ILE . 89.1 mt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -110.09 124.72 52.0 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 35.9 m -115.5 125.82 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -118.31 129.58 55.53 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -136.12 127.53 28.49 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.534 0.207 . . . . 0.0 110.538 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -122.12 107.55 12.31 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 79.5 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.348 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.51 123.77 50.8 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -117.7 122.75 70.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.26 130.91 56.33 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 120.743 0.306 . . . . 0.0 110.993 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.75 110.11 8.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.712 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -108.19 111.02 22.8 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.226 -179.342 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -110.94 122.91 49.07 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.39 126.0 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -118.66 129.76 55.48 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mp -136.49 127.46 27.66 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.805 0.336 . . . . 0.0 110.626 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -121.69 109.56 14.88 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.672 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.378 179.796 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -113.55 124.11 51.58 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.094 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 44.2 t -117.76 122.67 70.33 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.036 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.91 130.21 55.6 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-O 120.887 0.375 . . . . 0.0 110.862 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.32 108.62 8.31 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.872 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -107.62 113.03 26.05 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.278 -179.248 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 93.0 mt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -110.74 123.38 49.93 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -116.1 125.71 73.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 176.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -118.13 129.43 55.53 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -135.92 127.48 28.79 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.742 0.306 . . . . 0.0 110.711 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -121.57 109.15 14.44 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.849 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--O 1.222 -0.367 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.417 179.8 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 94.1 mt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -113.5 124.02 51.39 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 44.6 t -117.8 122.36 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.31 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.54 130.44 55.91 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 120.925 0.393 . . . . 0.0 111.002 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.77 107.1 6.82 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.922 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -106.75 114.16 28.09 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.218 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.236 -179.286 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' Y' Y ' 1' ' ' ILE . . . . . 0.403 HG22 HD13 ' Y' ' 1' ' ' ILE . 91.0 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -110.09 124.68 51.94 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 35.3 m -115.55 125.78 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.26 129.65 55.59 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -136.14 127.82 28.98 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 121.232 -0.187 . . . . 0.0 110.571 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -122.76 106.98 11.4 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 81.3 mt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.335 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.529 0.681 . . . . 0.0 109.922 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -113.72 123.37 49.72 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.7 t -117.35 122.07 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.46 131.21 56.27 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 120.453 0.168 . . . . 0.0 110.718 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.3 mt -115.75 111.47 20.6 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -126.52 105.57 8.84 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.427 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 1.5 pp . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.115 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 89.5 mt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -111.72 122.75 48.64 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 60.0 t -116.5 125.44 73.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.31 130.05 55.81 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -115.93 117.15 29.35 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -137.54 120.47 16.5 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.251 0.548 . . . . 0.0 110.674 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pt . . . . . 0 N--CA 1.471 0.605 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.729 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.48 0.657 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -114.38 123.29 49.1 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.846 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 75.4 t -117.58 121.8 68.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.67 131.11 56.16 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.0 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 43.8 mt -114.94 113.4 24.09 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.448 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -129.44 105.24 7.96 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.605 0.717 . . . . 0.0 109.334 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 7' ' ' ILE . . . . . 0.43 ' O ' ' CD1' ' E' ' 7' ' ' ILE . 1.3 pp . . . . . 0 C--O 1.218 -0.584 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.911 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -111.29 123.08 49.49 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -116.28 125.4 73.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -118.03 129.83 55.81 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -115.27 116.8 28.91 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -137.7 119.42 15.11 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.458 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.906 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.258 0.551 . . . . 0.0 109.826 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -114.4 123.43 49.44 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.978 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 98.2 t -117.72 121.89 68.51 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -118.6 130.92 56.15 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.306 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 43.5 mt -114.38 112.72 23.5 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.835 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -129.46 104.85 7.71 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 121.587 0.708 . . . . 0.0 109.638 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 7' ' ' ILE . . . . . 0.449 ' O ' ' CD1' ' I' ' 7' ' ' ILE . 1.3 pp . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.903 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 89.6 mt . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -107.84 123.88 49.25 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 57.9 t -115.71 125.46 72.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -117.97 129.89 55.87 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -114.61 115.5 27.26 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -138.01 119.64 15.05 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.205 0.526 . . . . 0.0 110.343 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 pt . . . . . 0 C--O 1.222 -0.393 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.601 -179.337 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.534 0.683 . . . . 0.0 109.834 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -113.75 123.45 49.88 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 67.0 t -117.23 122.11 69.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.5 131.3 56.25 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 120.558 0.218 . . . . 0.0 110.62 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 58.0 mt -116.3 110.2 18.41 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -125.17 106.15 9.68 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 7' ' ' ILE . . . . . 0.438 ' O ' ' CD1' ' O' ' 7' ' ' ILE . 1.6 pp . . . . . 0 N--CA 1.47 0.554 0 CA-C-O 117.93 -1.033 . . . . 0.0 111.195 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 85.7 mt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -111.78 122.99 49.29 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 60.9 t -116.7 125.44 73.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -118.16 130.3 56.02 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -116.59 115.84 26.47 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -136.08 120.88 18.53 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.165 0.507 . . . . 0.0 110.539 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 N--CA 1.471 0.589 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.722 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 121.537 0.684 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -114.54 123.4 49.29 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.936 177.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 79.9 t -117.47 121.86 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.56 131.12 56.21 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.903 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 45.2 mt -115.34 112.7 22.77 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.637 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -128.87 105.4 8.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.56 0.695 . . . . 0.0 109.23 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 7' ' ' ILE . . . . . 0.423 ' O ' ' CD1' ' S' ' 7' ' ' ILE . 1.3 pp . . . . . 0 C--O 1.218 -0.589 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.88 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 84.4 mt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -110.99 123.29 49.9 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -116.33 125.44 73.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -117.88 130.0 55.98 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -115.82 116.0 27.25 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -137.24 119.64 15.83 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.131 0.491 . . . . 0.0 110.456 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 N--CA 1.469 0.498 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.79 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.255 0.55 . . . . 0.0 109.816 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -114.39 123.57 49.8 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.248 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 97.4 t -117.53 121.94 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -118.44 131.02 56.28 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.147 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 43.9 mt -114.73 111.99 22.13 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.665 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -129.11 104.58 7.64 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 121.653 0.739 . . . . 0.0 109.382 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 7' ' ' ILE . . . . . 0.447 ' O ' ' CD1' ' W' ' 7' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.218 -0.561 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.473 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -107.76 123.78 49.05 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -115.96 125.46 73.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -117.85 130.09 56.05 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -114.56 116.16 28.34 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -138.58 119.52 14.35 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.278 0.561 . . . . 0.0 110.326 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 pt . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.478 -179.34 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -113.9 123.2 49.19 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.586 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -117.83 120.89 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -120.33 134.46 55.26 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.24 118.9 9.78 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.283 0.563 . . . . 0.0 109.978 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -108.75 112.11 24.23 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.5 mm . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.974 -179.592 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -111.57 123.57 50.5 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -116.08 124.49 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -119.83 130.62 54.99 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.54 125.38 14.29 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.744 178.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -116.33 113.78 23.42 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.708 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 28.2 pt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.46 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 98.0 mt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -114.34 123.23 48.99 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.016 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 59.2 t -118.16 120.53 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.6 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.63 132.85 55.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.32 121.6 13.08 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.517 0.675 . . . . 0.0 111.016 177.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -110.59 114.35 27.69 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.224 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 11.6 mm . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.138 -0.934 . . . . 0.0 109.965 -179.777 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -110.96 123.76 50.8 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -115.96 124.45 72.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -119.73 130.37 54.96 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.99 126.67 15.2 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.544 0.688 . . . . 0.0 110.92 178.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -117.41 114.25 23.25 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.888 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 27.5 pt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.602 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 97.6 mt . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -114.21 123.31 49.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.339 -0.391 . . . . 0.0 109.98 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -118.03 120.29 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.72 131.66 54.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.21 122.03 14.42 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.345 0.593 . . . . 0.0 111.072 178.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -110.51 114.81 28.53 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.445 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 10.9 mm . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.103 -179.903 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 88.1 mt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -107.79 124.21 49.72 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 69.0 t -115.55 124.77 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -119.47 130.81 55.42 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.0 129.34 17.79 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.04 0.448 . . . . 0.0 110.869 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -121.15 115.87 23.89 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.7 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 32.9 pt . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.244 -179.83 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 97.4 mt . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -113.89 123.3 49.43 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.56 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 62.1 t -117.77 120.91 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 120.369 -0.532 . . . . 0.0 109.71 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -120.41 134.37 55.28 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.34 119.61 10.2 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.34 0.591 . . . . 0.0 110.045 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -108.97 112.23 24.32 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 14.9 mm . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.014 -179.573 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 93.4 mt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -111.98 123.5 50.39 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -116.13 124.34 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -119.85 130.61 54.96 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.2 126.2 15.42 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.572 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -116.88 114.1 23.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.62 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 pt . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.417 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 98.0 mt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -114.56 123.4 49.27 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.111 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -118.09 120.44 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.53 176.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.7 132.22 54.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.62 122.34 14.32 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.481 0.658 . . . . 0.0 110.848 178.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -111.14 114.26 27.38 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.192 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 11.5 mm . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.936 -179.646 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 91.9 mt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -111.28 123.87 51.08 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -116.03 124.36 72.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -119.71 130.28 54.93 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.75 126.74 15.48 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.79 178.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -117.54 114.09 22.93 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.931 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 26.7 pt . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.6 -179.852 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 97.8 mt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -114.26 123.24 49.06 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.178 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -118.05 119.95 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.65 131.36 54.56 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.82 122.18 14.94 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.406 0.622 . . . . 0.0 111.139 178.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -110.89 114.89 28.57 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.459 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 mm . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.037 -179.835 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -107.87 124.15 49.66 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 68.6 t -115.63 124.74 72.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -119.37 130.94 55.59 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.27 128.88 17.11 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.052 0.453 . . . . 0.0 110.962 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -120.68 115.65 23.77 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.703 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 31.9 pt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.27 -179.803 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 97.9 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -113.4 122.11 46.37 Favored 'General case' 0 N--CA 1.436 -1.153 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.6 t -118.86 123.02 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -117.9 131.19 56.56 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 120.837 0.351 . . . . 0.0 111.946 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.9 mt -121.18 110.98 16.84 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -117.76 116.7 27.54 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.107 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 85.1 mt . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.93 123.24 49.76 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 78.8 t -116.06 125.45 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.35 129.65 55.55 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 46.2 tp -125.98 122.98 37.49 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.756 0.312 . . . . 0.0 110.185 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -130.68 119.26 22.14 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.887 -1.054 . . . . 0.0 109.442 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -113.4 122.06 46.22 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 61.0 t -119.01 122.57 69.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -118.38 130.72 56.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 118.148 0.431 . . . . 0.0 111.799 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 51.6 mt -120.5 110.58 16.64 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -117.8 117.49 29.46 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.017 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 83.5 mt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -110.32 123.4 49.76 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 66.1 t -115.82 125.48 72.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -118.16 129.72 55.68 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 43.3 tp -126.36 122.62 35.9 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.801 0.334 . . . . 0.0 110.458 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -129.99 118.14 21.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.603 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.514 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.81 122.24 46.46 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.85 122.28 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.45 130.72 56.12 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 118.339 0.518 . . . . 0.0 111.931 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 46.2 mt -120.78 109.51 15.25 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.544 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -116.92 117.01 28.53 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.139 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 82.8 mt . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -107.7 123.77 49.01 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 72.4 t -115.6 125.8 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -117.87 129.96 55.96 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 121.199 -0.2 . . . . 0.0 110.462 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 41.2 tp -126.66 123.09 36.76 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.771 0.32 . . . . 0.0 110.649 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -130.91 116.8 18.36 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.557 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 98.1 mt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -113.65 122.1 46.14 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 56.9 t -118.81 122.94 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -117.81 131.22 56.6 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.901 0.382 . . . . 0.0 111.927 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 64.6 mt -121.26 111.18 17.05 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -117.84 116.72 27.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.118 -178.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 85.5 mt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -110.96 123.23 49.76 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 82.2 t -116.06 125.58 73.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -118.37 129.77 55.62 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 46.5 tp -126.18 123.12 37.52 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -130.96 119.29 21.88 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.422 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -113.68 122.14 46.24 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -119.11 122.46 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.33 130.7 56.17 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 118.098 0.408 . . . . 0.0 111.733 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 52.4 mt -120.57 110.4 16.4 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.539 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -117.63 117.52 29.6 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.918 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 84.0 mt . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -110.52 123.47 50.0 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 70.8 t -115.95 125.49 73.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -118.17 129.63 55.63 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 42.3 tp -126.39 122.63 35.89 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.815 0.34 . . . . 0.0 110.389 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -129.92 118.33 21.5 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.603 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.493 1.703 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -113.62 122.49 47.35 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 61.1 t -118.9 122.32 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.42 130.51 56.01 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 118.276 0.489 . . . . 0.0 111.622 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 48.7 mt -120.83 109.87 15.66 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -117.3 117.2 28.87 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.108 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -107.88 123.84 49.21 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 69.3 t -115.7 125.77 72.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -118.05 130.02 55.91 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.369 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 41.5 tp -126.29 122.99 37.07 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.757 0.313 . . . . 0.0 110.698 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -130.98 116.22 17.54 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.553 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -114.15 122.09 45.75 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.03 122.5 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.88 130.76 55.91 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 120.771 0.319 . . . . 0.0 111.847 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.4 mt -126.94 116.67 21.15 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -120.03 112.24 18.9 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.1 mm . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.389 -178.899 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -112.31 123.03 49.37 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 1.9 m -116.44 125.34 73.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -118.81 129.64 55.34 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.38 122.12 23.31 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.095 0.474 . . . . 0.0 110.481 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -120.73 115.33 23.11 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 mm . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.402 -179.03 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -114.18 122.41 46.73 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 33.4 m -119.3 121.85 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.999 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.27 130.29 55.34 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.796 0.331 . . . . 0.0 111.765 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 87.8 mt -126.49 119.08 26.29 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.199 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -122.47 113.11 18.88 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 mm . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.365 -179.082 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 89.3 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -111.75 123.4 50.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 120.016 -0.674 . . . . 0.0 109.228 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.413 HG22 ' HA ' ' I' ' 3' ' ' VAL . 1.9 m -116.22 125.37 73.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 176.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -118.77 129.4 55.23 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 mp -133.09 121.72 23.07 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.812 0.339 . . . . 0.0 110.32 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -120.21 114.5 22.01 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 26.4 mm . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.546 -179.022 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -113.97 122.23 46.32 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . 0.413 ' HA ' HG22 ' G' ' 3' ' ' VAL . 32.8 m -119.18 121.49 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 C-N-CA 120.269 -0.572 . . . . 0.0 109.904 176.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.51 130.26 55.11 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 120.82 0.343 . . . . 0.0 111.896 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 86.1 mt -125.8 120.16 29.83 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -122.92 112.53 17.95 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 19.3 mm . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.305 -179.016 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.08 124.22 51.1 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 m -115.62 125.24 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -119.11 129.67 55.17 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.234 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.86 122.57 23.39 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -121.15 112.55 18.81 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 mm . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.555 -178.789 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 121.247 0.546 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.98 122.13 46.0 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 28.3 m -119.06 122.33 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.89 130.88 55.97 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 120.824 0.345 . . . . 0.0 111.801 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 87.6 mt -127.15 116.85 21.29 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -120.17 112.22 18.82 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 22.0 mm . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.372 -178.884 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 93.7 mt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -112.57 123.06 49.45 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 2.0 m -116.54 125.34 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -118.79 129.5 55.27 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.07 122.18 23.76 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.07 0.462 . . . . 0.0 110.462 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -120.81 115.39 23.19 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 25.3 mm . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.503 -178.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -114.45 122.43 46.58 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 33.9 m -119.21 121.88 67.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 C-N-CA 120.443 -0.503 . . . . 0.0 109.983 176.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.29 130.25 55.3 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 87.5 mt -126.49 118.77 25.6 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -122.07 113.06 19.01 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 19.8 mm . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.357 -179.125 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 88.9 mt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -111.59 123.45 50.24 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 120.011 -0.675 . . . . 0.0 109.363 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' U' U ' 3' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' W' ' 3' ' ' VAL . 2.0 m -116.2 125.27 73.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 176.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -118.74 129.45 55.26 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 mp -132.88 122.07 23.84 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.939 0.4 . . . . 0.0 110.428 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -120.62 114.2 21.36 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 26.2 mm . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.504 -178.902 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -113.88 122.54 47.33 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 3' ' ' VAL . . . . . 0.456 ' HA ' HG22 ' U' ' 3' ' ' VAL . 32.6 m -118.95 121.32 66.56 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.031 176.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.21 130.15 55.34 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 120.72 0.295 . . . . 0.0 111.744 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 86.1 mt -125.92 120.11 29.54 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -122.78 112.6 18.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.397 -179.04 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 85.4 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -109.61 124.22 50.78 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 m -115.47 125.23 72.62 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -119.09 129.73 55.22 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.275 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -134.02 122.59 23.23 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -121.24 112.85 19.13 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.434 -178.87 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.409 HG23 HD13 ' A' ' 1' ' ' ILE . 84.5 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.95 122.34 46.66 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -118.81 123.02 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -117.94 130.95 56.53 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 120.895 0.379 . . . . 0.0 111.107 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.3 mp -112.35 110.13 20.17 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.607 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -126.68 108.33 10.99 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.3 pt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.88 -178.62 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 84.5 mt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -111.5 123.44 50.22 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -116.23 125.72 73.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -118.21 130.03 55.84 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.458 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 10.1 mp -114.11 120.81 41.81 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -139.09 110.11 6.81 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.473 0.692 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.404 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 85.2 mt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.8 122.49 47.21 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -119.16 122.84 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -117.8 131.05 56.62 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.313 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 9.3 mp -112.01 111.52 22.49 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.365 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -128.88 108.11 10.17 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 40.5 pt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.754 -178.493 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 89.2 mt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -110.93 123.76 50.79 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -116.0 125.77 73.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -118.17 130.06 55.88 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.5 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 10.3 mp -113.53 120.84 42.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.725 0.297 . . . . 0.0 110.274 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -139.53 109.35 6.33 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.673 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.618 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.549 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 84.9 mt . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -113.67 122.8 48.27 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 120.499 -0.48 . . . . 0.0 109.8 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -119.11 122.95 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 176.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.0 131.13 56.51 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.299 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 9.5 mp -111.89 111.14 21.88 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.593 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -129.02 107.33 9.52 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 36.5 pt . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.574 -178.529 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 93.6 mt . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -109.85 124.12 50.76 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -115.45 125.67 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -117.97 130.05 55.97 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.604 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 10.3 mp -112.19 122.21 47.11 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.817 0.341 . . . . 0.0 110.459 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -142.48 109.36 5.47 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 pt . . . . . 0 C--O 1.219 -0.551 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.39 -179.031 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -113.83 122.4 46.94 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -118.82 122.98 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -117.81 130.95 56.59 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 120.878 0.37 . . . . 0.0 111.172 178.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mp -112.58 108.58 17.72 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.807 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -124.94 108.41 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 50.7 pt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.882 -178.636 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 87.1 mt . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -111.35 123.4 50.14 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -116.15 125.64 73.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -118.26 130.15 55.88 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.399 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mp -113.99 120.9 42.23 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -139.01 109.8 6.69 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.034 0.445 . . . . 0.0 109.842 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 117.915 -1.04 . . . . 0.0 110.436 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 87.1 mt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -113.58 122.5 47.43 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 57.6 t -119.06 122.75 70.05 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -117.95 131.12 56.54 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.36 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mp -111.75 112.22 23.74 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.205 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -129.08 107.51 9.64 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 38.9 pt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.949 -178.483 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 89.5 mt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -110.74 123.79 50.73 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 61.4 t -116.14 125.73 73.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -118.07 130.22 56.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.562 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 10.2 mp -113.54 121.46 44.3 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.728 0.299 . . . . 0.0 110.398 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -140.1 110.3 6.56 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.874 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.475 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 83.9 mt . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -113.57 122.71 48.04 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.945 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 62.7 t -118.91 123.05 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -117.95 130.84 56.45 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.308 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 mp -111.74 111.61 22.71 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.762 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -129.59 107.81 9.74 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 39.1 pt . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.754 -178.422 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 92.4 mt . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -109.74 124.07 50.62 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -115.61 125.81 72.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -118.01 130.39 56.15 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.507 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mp -112.4 122.23 47.11 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.746 0.308 . . . . 0.0 110.318 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -142.51 109.91 5.69 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 pt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.337 -179.038 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.402 HD11 HG23 ' A' ' 1' ' ' ILE . 97.2 mt . . . . . 0 N--CA 1.494 1.727 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -113.02 122.77 48.6 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.0 t -118.64 122.83 70.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.458 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.26 131.49 56.35 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 120.546 0.212 . . . . 0.0 111.529 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 24.7 mt -129.94 127.52 40.25 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.845 0.355 . . . . 0.0 110.777 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -130.41 106.58 8.64 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.48 -0.934 . . . . 0.0 108.48 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.43 HD12 HG23 ' A' ' 7' ' ' ILE . 54.7 mt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.817 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -111.15 122.91 49.08 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 18.3 t -116.53 125.75 73.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -118.27 129.1 55.27 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -132.74 121.21 22.72 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.098 0.475 . . . . 0.0 111.99 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -122.19 106.99 11.64 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.185 177.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . 0.524 ' N ' ' CD1' ' C' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.559 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -112.47 122.96 49.19 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -118.9 122.43 69.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.466 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.54 131.13 56.23 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 120.594 0.235 . . . . 0.0 111.609 178.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 19.5 mt -129.97 125.48 35.49 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.611 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -129.29 104.92 7.79 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 7' ' ' ILE . . . . . 0.423 HD12 HG23 ' E' ' 7' ' ' ILE . 51.2 mt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.892 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 77.9 mt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -110.21 122.79 48.48 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 19.1 t -116.33 125.69 73.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -117.94 128.89 55.24 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mp -132.23 121.18 23.24 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.176 0.512 . . . . 0.0 111.931 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -122.48 105.69 10.37 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.388 177.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 7' ' ' ILE . . . . . 0.512 ' CD1' ' N ' ' G' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.694 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 1' ' ' ILE . . . . . 0.43 HD11 HG23 ' I' ' 1' ' ' ILE . 96.6 mt . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -111.1 122.85 48.94 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 59.4 t -118.53 122.15 68.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.364 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -118.43 131.14 56.28 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 18.9 mt -130.92 123.28 28.57 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.664 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -127.24 104.22 7.83 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 7' ' ' ILE . . . . . 0.407 HD12 HG23 ' I' ' 7' ' ' ILE . 48.1 mt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.988 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 84.1 mt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -107.26 123.49 48.39 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 21.8 t -116.18 125.79 73.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -117.83 129.34 55.6 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -131.75 126.29 34.09 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.757 0.313 . . . . 0.0 111.295 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -127.82 104.58 7.91 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' K' K ' 7' ' ' ILE . . . . . 0.503 ' CD1' ' N ' ' K' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 118.11 -0.948 . . . . 0.0 110.522 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' O' O ' 1' ' ' ILE . . . . . 0.402 HD11 HG23 ' O' ' 1' ' ' ILE . 97.4 mt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -113.08 122.83 48.75 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.62 122.75 70.22 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.45 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.28 131.58 56.34 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 120.608 0.242 . . . . 0.0 111.542 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 26.9 mt -129.94 128.45 42.15 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.88 0.372 . . . . 0.0 110.78 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -131.57 106.63 8.31 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' O' O ' 7' ' ' ILE . . . . . 0.436 HG23 HD12 ' O' ' 7' ' ' ILE . 55.0 mt . . . . . 0 C--O 1.218 -0.578 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.89 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 81.2 mt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -111.44 122.85 48.93 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 18.3 t -116.76 125.57 73.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -118.35 129.1 55.24 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mp -132.81 119.96 20.95 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 121.112 0.482 . . . . 0.0 112.068 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -120.7 106.93 12.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.103 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Q' Q ' 7' ' ' ILE . . . . . 0.529 ' N ' ' CD1' ' Q' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.538 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -112.96 122.9 49.03 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 60.7 t -118.53 122.4 69.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.644 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -118.52 131.16 56.24 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 120.676 0.274 . . . . 0.0 111.404 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 19.8 mt -129.68 126.39 38.2 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.587 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -130.12 104.93 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 177.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 7' ' ' ILE . . . . . 0.435 HG23 HD12 ' S' ' 7' ' ' ILE . 47.1 mt . . . . . 0 N--CA 1.469 0.517 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.835 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 78.2 mt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -110.39 123.11 49.25 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 19.9 t -116.71 125.74 73.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -117.96 128.81 55.15 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -132.11 121.34 23.63 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 121.095 0.474 . . . . 0.0 111.734 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -122.6 105.45 10.11 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.259 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' U' U ' 7' ' ' ILE . . . . . 0.513 ' CD1' ' N ' ' U' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.678 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 1' ' ' ILE . . . . . 0.407 HD11 HG23 ' W' ' 1' ' ' ILE . 96.4 mt . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -111.01 123.18 49.68 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -118.57 122.41 69.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.39 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -118.3 130.92 56.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 120.537 0.208 . . . . 0.0 111.314 178.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 18.5 mt -130.68 122.74 27.89 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.603 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -126.97 103.98 7.76 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 7' ' ' ILE . . . . . 0.406 HD12 HG23 ' W' ' 7' ' ' ILE . 51.7 mt . . . . . 0 N--CA 1.469 0.521 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.129 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -107.22 123.44 48.29 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.18 125.8 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -117.69 129.47 55.74 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -131.79 127.43 36.67 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.805 0.336 . . . . 0.0 111.09 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -128.96 104.57 7.67 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 7' ' ' ILE . . . . . 0.507 ' CD1' ' N ' ' Y' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.458 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.401 ' O ' ' CG2' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.322 0.582 . . . . 0.0 109.524 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -114.33 122.16 45.83 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 56.2 t -118.11 121.66 67.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.66 131.42 56.17 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 120.68 0.276 . . . . 0.0 111.182 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.7 mt -119.52 114.84 22.89 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -124.99 108.58 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 117.895 -1.05 . . . . 0.0 110.337 -179.078 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -112.15 123.67 50.76 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 120.189 -0.604 . . . . 0.0 109.438 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 65.5 t -116.22 124.84 72.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -119.16 129.67 55.13 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 50.6 tp -122.3 123.44 41.42 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.793 0.33 . . . . 0.0 110.534 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -135.0 113.63 11.67 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 41.7 pt . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.489 -179.521 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 1' ' ' ILE . . . . . 0.435 HG21 HD11 ' E' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -114.54 122.82 47.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.16 121.51 67.4 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -118.97 130.83 55.9 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.045 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 mt -119.18 115.51 24.37 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.33 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -126.63 108.68 11.33 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 mt . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.24 -179.122 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -111.47 123.65 50.66 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.733 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 66.0 t -116.22 124.69 72.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -119.02 129.51 55.17 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 55.1 tp -122.02 121.9 38.08 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 120.945 0.403 . . . . 0.0 110.473 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -133.71 112.5 11.44 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.467 178.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 46.2 pt . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.577 -179.565 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' I' I ' 1' ' ' ILE . . . . . 0.47 HD11 HG21 ' I' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -114.1 122.96 48.45 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.52 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -118.02 121.44 67.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.89 130.32 55.67 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.23 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 50.4 mt -118.47 114.81 23.43 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.641 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -125.9 107.94 10.96 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.24 -179.03 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 93.5 mt . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -108.52 123.87 49.56 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.472 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 66.0 t -115.77 124.93 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -118.88 129.52 55.24 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 tp -121.96 121.84 37.99 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 120.789 0.328 . . . . 0.0 110.359 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -135.11 111.38 9.68 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 pt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.458 -179.223 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' O' O ' 1' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' O' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.389 0.614 . . . . 0.0 109.599 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -114.15 122.25 46.24 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 56.2 t -118.17 121.94 68.42 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.77 131.53 56.12 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.624 0.249 . . . . 0.0 111.212 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 64.1 mt -119.61 115.43 23.97 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -125.81 107.96 11.01 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.47 0.548 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.237 -178.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' Q' Q ' 1' ' ' ILE . . . . . 0.406 HD13 HG21 ' Q' ' 1' ' ' ILE . 91.2 mt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -112.11 123.96 51.39 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.504 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 70.6 t -116.15 124.95 72.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -119.2 129.47 54.99 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 tp -122.06 123.16 40.95 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 120.725 0.298 . . . . 0.0 110.52 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -134.8 113.19 11.36 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 43.4 pt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.417 -179.563 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' S' S ' 1' ' ' ILE . . . . . 0.418 ' O ' ' CG2' ' S' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -114.16 122.9 48.23 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 60.6 t -118.25 121.52 67.38 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -119.05 130.7 55.76 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.16 177.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 55.2 mt -118.95 116.05 25.64 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.358 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -127.28 108.06 10.54 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.235 -179.08 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 93.0 mt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -110.93 123.69 50.64 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 120.211 -0.596 . . . . 0.0 109.82 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 67.0 t -116.18 124.59 72.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -118.84 129.29 55.14 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 55.2 tp -121.85 121.64 37.62 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.877 0.37 . . . . 0.0 110.691 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -133.43 112.49 11.62 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.622 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 pt . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.674 -179.491 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' W' W ' 1' ' ' ILE . . . . . 0.421 ' O ' ' CG2' ' W' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -113.78 123.09 49.0 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -118.0 121.43 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -118.66 130.21 55.73 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.079 177.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 50.4 mt -118.7 113.78 21.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -125.23 107.92 11.22 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 4.0 mt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.287 -179.22 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 89.9 mt . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -108.29 123.88 49.48 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.545 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 70.1 t -115.83 124.84 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -118.9 129.66 55.31 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 tp -121.94 120.96 35.97 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 120.75 0.31 . . . . 0.0 110.522 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -134.28 111.17 10.01 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 47.5 pt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.536 -179.179 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 121.577 0.703 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -113.97 122.98 48.6 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.339 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.5 t -117.73 121.9 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.78 131.81 56.12 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.412 HD21 ' N ' ' A' ' 6' ' ' GLN . 1.9 tm? -126.53 121.69 33.01 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.412 ' N ' HD21 ' A' ' 5' ' ' LEU . 51.6 tt0 -135.81 119.08 16.67 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.2 mt . . . . . 0 N--CA 1.469 0.513 0 CA-C-O 117.719 -1.134 . . . . 0.0 109.618 -179.72 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -111.75 124.16 51.75 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.474 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 84.0 t -115.7 125.13 72.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -118.41 129.03 55.18 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 13.5 mt -126.52 118.28 24.58 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.483 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -131.01 111.06 11.69 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.891 -1.052 . . . . 0.0 109.848 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.121 0.486 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -113.69 122.67 47.84 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.232 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 82.7 t -117.67 121.08 66.62 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -118.97 130.95 55.97 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 5' ' ' LEU . . . . . 0.413 HD21 ' N ' ' E' ' 6' ' ' GLN . 2.0 tm? -124.45 119.85 30.36 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.64 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 6' ' ' GLN . . . . . 0.413 ' N ' HD21 ' E' ' 5' ' ' LEU . 51.5 tt0 -133.08 119.49 20.06 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 7.5 mt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.765 179.869 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -110.84 124.11 51.41 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 94.2 t -115.8 125.11 72.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -117.88 128.83 55.21 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 17.2 mt -125.47 119.4 28.13 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.593 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -132.08 111.68 11.69 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.93 -1.034 . . . . 0.0 110.159 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -113.51 122.79 48.33 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 97.5 t -117.42 120.74 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.851 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -119.04 130.53 55.68 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 5' ' ' LEU . . . . . 0.416 ' CD1' ' C ' ' I' ' 5' ' ' LEU . 1.9 tm? -123.37 118.44 27.49 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.78 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 6' ' ' GLN . . . . . 0.4 ' N ' HD21 ' I' ' 5' ' ' LEU . 51.4 tt0 -131.06 120.03 22.84 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 7' ' ' ILE . . . . . 0.401 HD11 HG23 ' I' ' 7' ' ' ILE . 9.1 mt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.759 -1.115 . . . . 0.0 109.837 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -107.71 124.14 49.57 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 84.5 t -115.84 125.95 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -117.38 129.1 55.64 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 35.3 mt -123.38 121.9 36.94 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 -178.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -135.62 110.11 8.53 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.415 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 89.8 mt . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 121.435 0.636 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.86 122.98 48.67 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.365 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 70.3 t -117.72 121.69 68.04 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.668 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 177.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.85 131.76 56.09 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' O' O ' 5' ' ' LEU . . . . . 0.423 ' CD1' ' C ' ' O' ' 5' ' ' LEU . 1.9 tm? -126.17 121.91 34.14 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' O' O ' 6' ' ' GLN . . . . . 0.415 ' N ' HD21 ' O' ' 5' ' ' LEU . 51.8 tt0 -136.0 119.42 16.87 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 14.2 mt . . . . . 0 N--CA 1.47 0.529 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.57 -179.714 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' Q' Q ' 1' ' ' ILE . . . . . 0.403 ' H2 ' HG13 ' Q' ' 1' ' ' ILE . 95.8 mt . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -111.37 124.3 51.97 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.449 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -115.82 125.27 72.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -118.35 128.95 55.14 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 13.1 mt -126.29 118.5 25.23 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.413 -178.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -131.05 110.3 11.11 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.913 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 88.5 mt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -113.56 122.87 48.53 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 81.7 t -117.77 121.02 66.43 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -119.08 130.94 55.86 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . 0.414 ' CD1' ' C ' ' S' ' 5' ' ' LEU . 1.9 tm? -124.11 119.74 30.33 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.622 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 6' ' ' GLN . . . . . 0.403 ' N ' HD21 ' S' ' 5' ' ' LEU . 51.7 tt0 -133.12 119.46 19.97 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--O 1.218 -0.571 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.671 -179.894 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -110.91 124.18 51.59 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 90.4 t -115.83 125.38 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -117.88 128.86 55.23 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 16.5 mt -125.46 119.05 27.17 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.353 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -131.72 110.41 10.86 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.912 -1.042 . . . . 0.0 110.189 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -113.4 122.88 48.69 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 80.4 t -117.72 120.86 65.99 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.731 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -118.84 130.63 55.86 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 5' ' ' LEU . . . . . 0.409 ' CD1' ' C ' ' W' ' 5' ' ' LEU . 1.9 tm? -123.49 118.81 28.24 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -131.91 119.16 20.76 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 7' ' ' ILE . . . . . 0.407 HG23 HD11 ' W' ' 7' ' ' ILE . 9.9 mt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.752 -1.118 . . . . 0.0 109.773 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -107.76 123.91 49.25 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 87.1 t -115.81 126.08 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -117.16 129.29 55.86 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 34.5 mt -123.52 121.52 35.87 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -178.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -135.42 109.2 8.06 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.326 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 96.0 mt . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -114.34 122.49 46.86 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.7 t -118.29 122.12 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.196 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.51 131.52 55.58 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.2 mt -121.92 112.46 18.33 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -123.12 105.5 9.98 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 mm . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.542 -179.47 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 121.355 0.598 . . . . 0.0 109.88 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -110.42 123.39 49.79 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.33 125.07 72.46 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -118.73 129.19 55.13 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 53.0 tp -123.32 123.7 41.31 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 121.246 -0.182 . . . . 0.0 110.857 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -132.81 105.57 7.22 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . 0.421 HG23 HD13 ' C' ' 7' ' ' ILE . 46.6 mm . . . . . 0 C--O 1.218 -0.585 0 CA-C-O 117.62 -1.181 . . . . 0.0 110.545 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 1' ' ' ILE . . . . . 0.437 HD11 HG23 ' E' ' 1' ' ' ILE . 96.2 mt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -113.36 122.63 47.95 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 49.2 t -118.56 121.19 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.904 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -119.37 130.75 55.49 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.673 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 64.2 mt -121.11 111.55 17.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.35 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -121.68 108.14 13.19 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 8.6 mm . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.578 -179.473 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 121.161 0.505 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -110.26 123.99 50.81 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 176.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -115.68 124.79 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -118.49 129.4 55.35 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 52.9 tp -124.06 123.12 39.65 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.447 0.165 . . . . 0.0 111.173 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -132.1 104.7 6.94 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 7' ' ' ILE . . . . . 0.448 HG23 HD13 ' G' ' 7' ' ' ILE . 45.4 mm . . . . . 0 C--O 1.218 -0.587 0 CA-C-O 117.676 -1.154 . . . . 0.0 110.66 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 1' ' ' ILE . . . . . 0.436 HD11 HG23 ' I' ' 1' ' ' ILE . 96.8 mt . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -113.34 123.1 49.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -118.72 121.22 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.135 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.39 130.21 55.2 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.654 -0.419 . . . . 0.0 112.057 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 55.9 mt -120.29 110.52 16.66 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.4 0.438 . . . . 0.0 110.48 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -120.81 106.84 12.05 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 8.5 mm . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.661 -179.27 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 1.9 tt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -108.75 124.61 50.85 Favored 'General case' 0 N--CA 1.462 0.126 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 56.0 t -115.22 125.41 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.26 129.67 55.61 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 46.9 tp -124.82 122.41 37.34 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.507 0.194 . . . . 0.0 110.769 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -132.72 104.9 6.86 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' K' K ' 7' ' ' ILE . . . . . 0.445 HG23 HD13 ' K' ' 7' ' ' ILE . 43.6 mm . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 117.761 -1.114 . . . . 0.0 110.625 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -114.17 123.17 48.94 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 46.7 t -118.9 121.89 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.137 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -119.11 131.7 55.93 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 78.6 mt -121.6 112.01 17.93 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -122.74 105.58 10.18 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 mm . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.531 -179.703 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 121.189 0.518 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -110.19 123.94 50.68 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -115.52 124.73 72.3 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.63 129.27 55.22 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 51.5 tp -123.58 123.09 39.82 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.468 0.175 . . . . 0.0 110.768 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -132.14 105.54 7.43 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Q' Q ' 7' ' ' ILE . . . . . 0.421 HD13 HG23 ' Q' ' 7' ' ' ILE . 45.5 mm . . . . . 0 C--O 1.218 -0.604 0 CA-C-O 117.716 -1.135 . . . . 0.0 110.471 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -113.93 122.61 47.5 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 50.8 t -118.31 121.45 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.94 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.51 130.62 55.28 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 69.0 mt -121.13 113.21 19.68 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.186 0.303 . . . . 0.0 110.234 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -123.32 107.84 12.1 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 8.0 mm . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.67 -179.369 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 1.5 tt . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 121.345 0.593 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -109.88 124.01 50.6 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -115.51 124.76 72.34 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -118.37 129.51 55.47 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 51.4 tp -124.49 123.03 39.25 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 121.179 -0.209 . . . . 0.0 110.956 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -132.0 104.48 6.85 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' U' U ' 7' ' ' ILE . . . . . 0.41 HG23 HD13 ' U' ' 7' ' ' ILE . 45.1 mm . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 117.804 -1.093 . . . . 0.0 110.679 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 1' ' ' ILE . . . . . 0.402 HD11 HG23 ' W' ' 1' ' ' ILE . 96.8 mt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -112.06 122.79 48.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -118.31 121.33 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.32 130.12 55.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 60.7 mt -120.78 110.7 16.68 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.374 0.421 . . . . 0.0 110.507 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -120.88 107.48 12.75 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 8.9 mm . . . . . 0 C--O 1.218 -0.563 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.703 -179.424 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 1.9 tt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -108.6 124.83 51.1 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.68 125.03 72.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -118.06 130.15 55.98 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 46.3 tp -124.67 121.74 35.54 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.433 0.159 . . . . 0.0 110.64 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -132.04 104.42 6.81 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 44.3 mm . . . . . 0 C--O 1.217 -0.607 0 CA-C-O 117.773 -1.108 . . . . 0.0 110.652 179.902 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 84.2 mt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -113.34 123.12 49.37 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.4 t -118.23 122.78 70.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.25 130.36 56.01 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mt -140.08 115.83 10.2 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.066 0.46 . . . . 0.0 110.947 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -114.77 106.49 14.26 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.6 pt . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.557 -179.351 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . 0.422 HD13 HG23 ' C' ' 1' ' ' ILE . 97.0 mt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -110.56 124.4 51.77 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -115.66 125.62 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -117.99 128.64 54.99 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mt -136.74 126.81 26.09 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 120.791 0.329 . . . . 0.0 110.826 -178.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -125.17 115.01 19.76 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.949 -179.175 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 84.9 mt . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -112.58 123.46 50.34 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.07 122.46 69.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.35 129.91 55.7 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 6.2 mt -138.9 115.12 10.32 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.124 0.488 . . . . 0.0 111.088 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -113.78 107.24 15.47 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.039 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 pt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.706 -179.047 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -110.1 124.57 51.74 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -115.4 125.49 72.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -118.17 128.5 54.78 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 mt -136.26 127.25 27.74 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.742 0.306 . . . . 0.0 110.811 -178.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -125.58 113.5 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.096 -0.954 . . . . 0.0 109.981 -179.364 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 85.8 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -111.04 123.64 50.58 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 48.5 t -117.8 122.05 68.84 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.44 129.71 55.55 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 mt -138.39 114.95 10.52 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.232 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -113.24 105.55 13.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.323 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 pt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.108 -0.949 . . . . 0.0 110.652 -179.33 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -107.68 124.88 50.64 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 61.1 t -115.02 125.34 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.17 128.63 54.9 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 mt -136.62 126.63 26.02 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.447 0.165 . . . . 0.0 110.559 -178.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -125.01 111.11 15.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.02 -179.276 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -113.0 123.01 49.35 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 45.9 t -118.14 122.68 70.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -118.22 130.01 55.82 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mt -139.47 117.66 11.91 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.164 0.507 . . . . 0.0 111.082 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -116.25 106.23 13.45 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 pt . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.488 -179.444 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' Q' Q ' 1' ' ' ILE . . . . . 0.414 HD13 HG23 ' Q' ' 1' ' ' ILE . 96.2 mt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -110.79 124.51 52.16 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -115.56 125.48 72.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -118.06 128.33 54.65 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mt -136.72 127.1 26.61 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 -178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -125.69 114.72 19.03 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.945 -179.209 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 88.0 mt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -112.15 123.33 50.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.07 122.33 69.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.33 129.8 55.65 Favored 'General case' 0 N--CA 1.433 -1.285 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 mt -138.42 115.8 11.18 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.143 0.497 . . . . 0.0 111.262 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -114.69 107.12 15.04 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.109 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 23.7 pt . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.681 -179.189 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' U' U ' 1' ' ' ILE . . . . . 0.41 HD13 HG23 ' U' ' 1' ' ' ILE . 96.6 mt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -110.15 124.6 51.85 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.34 125.46 72.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.22 128.25 54.52 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mt -136.38 127.22 27.46 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.758 0.313 . . . . 0.0 110.895 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -125.86 113.43 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.955 -179.4 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 89.2 mt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -110.77 123.48 50.16 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -117.7 122.02 68.82 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.39 129.56 55.48 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 mt -138.44 114.78 10.35 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.069 0.461 . . . . 0.0 111.202 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -113.43 105.8 13.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.429 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 7' ' ' ILE . . . . . 0.421 ' OXT' ' O ' ' Y' ' 6' ' ' GLN . 19.3 pt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.738 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -107.69 124.88 50.65 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -115.09 125.21 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -118.21 128.84 55.08 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 mt -136.77 127.13 26.56 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.785 -0.188 . . . . 0.0 110.603 -178.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 6' ' ' GLN . . . . . 0.421 ' O ' ' OXT' ' W' ' 7' ' ' ILE . 50.8 tt0 -125.49 111.58 15.24 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.003 -179.259 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -112.85 123.13 49.61 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.3 t -118.42 122.66 70.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.79 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -117.97 130.44 56.2 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.532 0.206 . . . . 0.0 110.667 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.4 mt -128.21 123.58 34.6 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.032 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -129.51 106.45 8.76 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.0 mt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.189 -179.332 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . 0.445 ' H2 ' HG12 ' E' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -112.25 123.72 50.9 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 86.2 t -115.73 125.71 72.99 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -117.69 128.6 55.06 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 41.5 tp -129.3 113.83 15.49 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.653 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -121.13 113.65 20.32 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.879 -178.547 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 1' ' ' ILE . . . . . 0.445 HG12 ' H2 ' ' C' ' 1' ' ' ILE . 96.8 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -113.49 123.24 49.56 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 84.3 t -118.69 122.52 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.27 130.08 55.84 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.841 177.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 mt -127.87 120.45 27.77 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -178.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -126.59 106.37 9.37 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 7' ' ' ILE . . . . . 0.418 HD12 HG21 ' E' ' 7' ' ' ILE . 80.9 mt . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.162 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 1' ' ' ILE . . . . . 0.438 ' H2 ' HG12 ' I' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -112.0 123.76 50.95 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 176.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 89.1 t -115.67 125.73 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -117.84 128.58 54.98 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 41.5 tp -128.99 113.97 15.83 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.729 0.299 . . . . 0.0 110.722 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -120.93 111.05 17.03 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 21.3 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.911 -178.869 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' I' I ' 1' ' ' ILE . . . . . 0.438 HG12 ' H2 ' ' G' ' 1' ' ' ILE . 96.7 mt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -113.35 123.3 49.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 79.7 t -118.67 122.77 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.36 129.77 55.62 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 117.752 0.251 . . . . 0.0 111.338 177.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 mt -127.36 119.06 25.37 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.291 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -125.28 106.38 9.81 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 7' ' ' ILE . . . . . 0.412 HD12 HG21 ' I' ' 7' ' ' ILE . 84.2 mt . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.192 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 108.939 -0.764 . . . . 0.0 108.939 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.84 123.76 50.73 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 88.8 t -115.72 125.71 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.01 129.1 55.38 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 42.0 tp -129.32 115.41 17.54 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.532 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -122.8 107.31 11.74 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 45.0 mt . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.573 -178.933 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 97.1 mt . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -112.64 123.16 49.68 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 90.6 t -118.38 122.73 70.27 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -118.06 130.59 56.24 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 120.528 0.204 . . . . 0.0 110.745 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 mt -128.43 123.28 33.34 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.917 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -128.89 106.57 8.99 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.077 -179.338 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' Q' Q ' 1' ' ' ILE . . . . . 0.432 ' H2 ' HG12 ' S' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -112.37 123.6 50.65 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 85.7 t -115.64 125.79 72.94 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -117.98 128.56 54.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 38.6 tp -128.98 114.16 16.08 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.571 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -121.26 113.55 20.1 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 17.7 mt . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.901 -178.505 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' S' S ' 1' ' ' ILE . . . . . 0.432 HG12 ' H2 ' ' Q' ' 1' ' ' ILE . 97.0 mt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -113.47 123.32 49.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 82.3 t -118.64 122.63 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -118.37 130.09 55.8 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 117.721 0.237 . . . . 0.0 110.892 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 mt -128.21 120.87 28.11 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -126.92 106.66 9.46 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 79.2 mt . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.17 -179.267 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' U' U ' 1' ' ' ILE . . . . . 0.41 ' H2 ' HG12 ' W' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -112.03 123.73 50.89 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 85.1 t -115.64 125.8 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -117.84 128.6 55.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 40.7 tp -129.27 113.89 15.57 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.724 0.297 . . . . 0.0 110.73 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -120.82 111.14 17.18 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.912 -178.824 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' W' W ' 1' ' ' ILE . . . . . 0.41 HG12 ' H2 ' ' U' ' 1' ' ' ILE . 97.0 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -113.41 123.69 50.67 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.32 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 82.3 t -118.54 122.64 69.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 176.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.23 129.52 55.53 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 117.777 0.262 . . . . 0.0 111.023 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 mt -127.77 119.84 26.62 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.149 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -126.08 106.71 9.78 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 82.2 mt . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.313 -179.39 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -110.97 123.91 51.11 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 89.7 t -115.57 125.85 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -118.11 129.18 55.39 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 41.6 tp -129.64 114.96 16.67 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.553 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -122.18 107.5 12.23 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 42.4 mt . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.792 -1.099 . . . . 0.0 109.497 -178.954 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.0 tt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.633 0.73 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -113.94 122.8 48.08 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.2 t -118.12 122.21 69.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -118.55 131.08 56.22 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-O 120.723 0.297 . . . . 0.0 111.633 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.4 mt -127.02 122.97 35.95 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.02 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -126.88 108.07 10.66 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.8 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.111 -0.947 . . . . 0.0 109.693 -179.071 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 94.7 mt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -112.37 123.13 49.61 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 34.6 m -116.48 125.43 73.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 177.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -118.85 129.33 55.16 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.59 116.97 18.08 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.975 0.417 . . . . 0.0 110.745 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -115.35 113.35 23.68 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 23.8 mm . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 118.154 -0.927 . . . . 0.0 109.816 -179.208 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.367 0.604 . . . . 0.0 109.896 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.94 123.21 49.2 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 62.6 t -117.75 121.08 66.58 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.218 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -119.4 130.13 55.15 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.701 178.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 72.9 mt -126.48 123.29 37.48 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.856 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -127.32 108.57 10.97 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 63.1 mt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.022 -178.859 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -111.72 123.55 50.47 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 34.6 m -116.13 125.26 73.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -118.59 129.24 55.22 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.79 117.41 18.53 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.13 0.49 . . . . 0.0 111.177 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -115.97 111.14 19.94 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.487 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 118.174 -0.917 . . . . 0.0 109.945 -179.462 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.86 123.54 50.03 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 64.1 t -117.45 120.95 66.39 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.533 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -119.42 129.87 55.0 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.855 177.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 68.1 mt -126.54 122.6 35.59 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.861 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -125.9 107.98 11.0 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.333 -178.898 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 93.4 mt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -108.88 124.59 50.88 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 30.9 m -115.24 125.18 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.89 129.49 55.22 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.59 118.33 19.07 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -117.52 107.25 14.06 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 27.3 mm . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.135 -0.936 . . . . 0.0 109.713 -179.392 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 2.2 tt . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.619 0.723 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -113.77 122.82 48.25 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 61.3 t -118.03 122.22 69.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.6 131.15 56.19 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 120.725 0.298 . . . . 0.0 111.646 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 77.1 mt -126.97 123.52 37.34 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.014 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -127.66 107.82 10.23 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.771 -179.047 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 93.2 mt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -112.22 123.02 49.37 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 177.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 34.2 m -116.44 125.47 73.47 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -118.78 129.44 55.24 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.79 116.72 17.62 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.087 0.47 . . . . 0.0 110.736 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -114.99 113.01 23.54 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.074 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 24.5 mm . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.758 -179.374 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.473 0.654 . . . . 0.0 109.822 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.99 123.51 49.88 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.447 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 60.0 t -117.71 121.26 67.02 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.154 178.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -119.19 130.33 55.44 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.67 178.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 75.0 mt -126.51 123.26 37.38 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.874 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -127.28 108.46 10.88 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 63.3 mt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.169 -178.78 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 92.0 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -111.76 123.54 50.46 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 34.7 m -116.17 125.34 73.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -118.47 129.33 55.32 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.79 117.34 18.44 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.049 0.452 . . . . 0.0 111.329 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -116.01 111.28 20.12 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.519 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 mm . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.134 -0.936 . . . . 0.0 109.911 -179.485 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.359 0.599 . . . . 0.0 109.714 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.8 123.73 50.53 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 177.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.47 121.17 66.94 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.506 177.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -119.35 129.85 55.05 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.568 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 72.2 mt -126.78 121.81 33.01 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.971 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -125.64 108.26 11.39 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 62.4 mt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.358 -178.9 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 87.6 mt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -108.3 124.4 50.28 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 31.7 m -115.24 125.12 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.9 129.94 55.46 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.06 118.23 18.51 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 120.861 0.362 . . . . 0.0 110.97 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -117.2 107.95 15.07 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 27.5 mm . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.144 -0.931 . . . . 0.0 109.737 -179.54 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 72.3 mt . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -112.92 122.62 48.19 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.2 m -118.5 122.82 70.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.043 178.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.75 130.92 56.07 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 116.807 -0.179 . . . . 0.0 110.552 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -124.18 123.81 41.1 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.786 0.327 . . . . 0.0 110.698 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -135.95 110.58 8.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.779 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.7 pt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.476 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 1.4 tp . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.269 0.557 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -111.21 124.27 51.88 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 38.5 t -114.48 124.74 71.43 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -119.1 128.69 54.54 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 20.5 mt -128.31 123.02 32.97 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.671 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -136.48 107.31 6.63 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 19.5 mm . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.237 -179.574 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 60.1 mt . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -111.42 122.31 47.5 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 31.1 m -119.05 122.6 69.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -118.68 130.44 55.84 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 116.797 -0.183 . . . . 0.0 110.773 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 tp -123.1 122.01 37.42 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.198 0.311 . . . . 0.0 111.308 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -134.24 113.34 11.88 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.969 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 44.0 pt . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.755 179.801 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 121.078 0.466 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -110.05 124.25 51.14 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 36.8 t -114.57 124.61 71.39 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -118.97 128.63 54.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 22.3 mt -127.66 122.55 33.32 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.533 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -135.55 107.29 7.0 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 7' ' ' ILE . . . . . 0.424 HD12 HG23 ' G' ' 7' ' ' ILE . 19.3 mm . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.256 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 61.8 mt . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -111.92 122.44 47.79 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 32.6 m -119.19 122.53 69.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -118.6 130.59 55.96 Favored 'General case' 0 N--CA 1.436 -1.16 0 C-N-CA 121.167 -0.213 . . . . 0.0 110.841 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 53.9 tp -122.81 121.22 35.74 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.762 0.315 . . . . 0.0 111.547 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -133.17 113.53 12.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.19 178.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 43.0 pt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.833 179.859 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -107.93 124.68 50.49 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 175.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 30.0 t -114.05 124.73 70.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.79 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -118.8 128.47 54.49 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 mt -126.53 122.6 35.61 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -136.56 106.49 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' K' K ' 7' ' ' ILE . . . . . 0.429 HD12 HG23 ' K' ' 7' ' ' ILE . 18.0 mm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.18 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 71.9 mt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -112.53 122.52 47.94 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 33.9 m -118.62 122.49 69.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.61 131.04 56.19 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 116.768 -0.197 . . . . 0.0 110.561 178.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 tp -124.18 124.14 41.82 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.752 0.31 . . . . 0.0 110.767 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -136.55 111.1 8.59 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 44.7 pt . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.451 179.808 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 1.4 tp . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.438 0.637 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -110.76 124.51 52.13 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 40.3 t -114.87 124.62 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.8 128.85 54.85 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 177.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 18.0 mt -128.41 122.26 30.96 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.914 -178.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -135.96 107.93 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 16.3 mm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.137 -179.789 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 62.5 mt . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -112.05 122.61 48.23 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.01 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 31.3 m -118.96 122.59 69.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.16 177.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -118.71 130.48 55.85 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 121.131 -0.227 . . . . 0.0 110.765 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 55.7 tp -122.82 121.0 35.19 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.818 0.342 . . . . 0.0 111.161 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -133.29 113.07 12.2 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.842 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 44.1 pt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.607 179.925 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 121.053 0.454 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -109.02 124.35 50.59 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 38.6 t -114.8 124.5 71.52 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -118.6 128.77 54.86 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 21.3 mt -127.89 121.18 29.36 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.818 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -134.64 107.66 7.61 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 17.5 mm . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.198 -179.69 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 62.8 mt . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -110.87 122.47 47.93 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.424 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 31.4 m -119.14 122.57 69.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.371 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.37 130.3 55.92 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.764 178.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 54.5 tp -122.67 120.12 32.76 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.824 0.345 . . . . 0.0 111.384 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -132.11 113.19 13.03 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.118 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 43.3 pt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.801 179.815 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 1.3 tp . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -107.6 124.46 49.97 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 34.2 t -114.38 125.0 71.58 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.819 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -118.69 128.97 55.02 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 37.6 mt -126.53 122.02 33.97 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.591 0.234 . . . . 0.0 110.465 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -136.17 106.94 6.59 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Y' Y ' 7' ' ' ILE . . . . . 0.416 HD12 HG23 ' Y' ' 7' ' ' ILE . 19.0 mm . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.218 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 92.4 mt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -114.09 122.4 46.75 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.2 t -119.03 121.79 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.26 131.17 55.74 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 120.545 0.212 . . . . 0.0 111.198 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.2 tp -116.89 120.63 39.07 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.67 107.14 9.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 pt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.735 -178.864 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -111.64 123.23 49.81 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 62.3 t -116.2 124.42 72.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -119.14 129.35 54.98 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' C' ' 5' ' ' LEU . 1.9 mm? -117.16 123.0 45.65 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -135.64 117.62 15.3 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.049 0.452 . . . . 0.0 109.923 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 117.811 -1.09 . . . . 0.0 110.494 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -113.77 122.32 46.74 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 64.1 t -119.09 121.41 66.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.51 130.63 55.29 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.149 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 60.8 tp -116.1 121.33 41.85 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -130.84 109.65 10.72 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 32.2 pt . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.699 -178.697 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -111.32 123.35 50.04 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 61.3 t -116.18 124.51 72.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -119.05 129.09 54.92 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 5' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' G' ' 5' ' ' LEU . 1.9 mm? -116.66 121.92 43.07 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 178.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -135.62 115.51 13.09 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.667 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 90.2 mt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -113.48 122.34 47.0 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 63.3 t -119.03 121.48 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -119.55 130.26 55.07 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.105 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 58.7 tp -115.25 120.89 41.21 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.823 0.344 . . . . 0.0 110.578 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -130.82 110.46 11.33 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 29.0 pt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.668 -178.806 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -110.42 123.58 50.14 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 67.0 t -115.82 124.78 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -118.91 129.22 55.07 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.276 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 5' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' K' ' 5' ' ' LEU . 1.7 mm? -116.09 121.76 43.12 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -137.52 114.1 10.34 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 2.0 pt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.391 -179.095 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' O' O ' 1' ' ' ILE . . . . . 0.416 HG21 HD11 ' O' ' 1' ' ' ILE . 92.3 mt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.82 122.23 46.42 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 66.3 t -118.93 121.72 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.1 131.15 55.9 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 120.469 0.176 . . . . 0.0 111.222 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 62.9 tp -116.96 120.68 39.17 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.8 107.78 9.66 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 47.4 pt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.669 -178.852 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 88.5 mt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -111.78 123.21 49.75 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -116.08 124.36 72.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -119.33 129.38 54.83 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 5' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' Q' ' 5' ' ' LEU . 1.9 mm? -117.14 123.22 46.2 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -135.93 117.67 15.05 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.036 0.446 . . . . 0.0 109.929 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 117.898 -1.048 . . . . 0.0 110.552 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 94.0 mt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -113.73 122.44 47.13 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 63.4 t -119.17 121.45 66.68 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.366 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.49 130.93 55.47 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.102 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 60.5 tp -116.58 121.39 41.61 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -130.91 110.13 11.05 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 32.7 pt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.717 -178.601 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 90.4 mt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -111.37 123.24 49.82 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -116.15 124.57 72.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -119.03 129.2 54.99 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' U' U ' 5' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' U' ' 5' ' ' LEU . 1.8 mm? -116.83 121.51 41.73 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -135.23 115.65 13.57 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.6 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 93.7 mt . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -113.3 122.44 47.41 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.811 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.0 121.55 67.1 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.47 130.15 55.09 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.851 -0.339 . . . . 0.0 110.834 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 58.3 tp -115.73 121.15 41.62 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.867 0.365 . . . . 0.0 110.652 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -131.15 111.21 11.76 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 29.7 pt . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.696 -178.721 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 91.8 mt . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -110.25 123.6 50.09 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 66.9 t -115.97 124.7 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -118.89 129.39 55.17 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.45 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 5' ' ' LEU . . . . . 0.501 ' N ' ' CD2' ' Y' ' 5' ' ' LEU . 1.7 mm? -115.97 121.36 42.03 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -136.97 114.01 10.6 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.318 -179.024 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.482 HD12 HD12 ' O' ' 7' ' ' ILE . 82.1 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -113.44 122.88 48.66 Favored 'General case' 0 N--CA 1.438 -1.026 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -117.93 121.64 67.83 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -119.08 130.95 55.87 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.309 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.675 ' C ' HD13 ' A' ' 5' ' ' LEU . 2.7 tm? -121.83 118.56 29.28 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -133.74 119.01 18.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.482 HD12 HD12 ' O' ' 1' ' ' ILE . 45.6 pt . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.985 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 93.1 mt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -111.32 123.64 50.62 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.582 HG11 HD13 ' Q' ' 5' ' ' LEU . 58.0 t -115.78 124.97 72.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -119.03 129.6 55.2 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' LEU . . . . . 0.641 HD13 HG11 ' Q' ' 3' ' ' VAL . 72.3 mt -122.09 123.39 41.46 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -138.77 112.69 8.49 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.442 HG12 HG22 ' E' ' 7' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.678 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.681 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 1' ' ' ILE . . . . . 0.462 HD13 HD11 ' Q' ' 7' ' ' ILE . 83.9 mt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -113.42 122.96 48.9 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.85 121.32 67.1 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -119.32 130.45 55.38 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.188 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 5' ' ' LEU . . . . . 0.647 HD13 ' C ' ' E' ' 5' ' ' LEU . 2.7 tm? -121.55 116.61 24.98 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -133.0 117.85 18.11 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 7' ' ' ILE . . . . . 0.442 HG22 HG12 ' C' ' 7' ' ' ILE . 46.6 pt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.852 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -110.94 123.88 51.02 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.517 HG11 HD13 ' U' ' 5' ' ' LEU . 59.8 t -115.75 124.78 72.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -118.66 129.54 55.36 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 5' ' ' LEU . . . . . 0.549 HD13 HG11 ' U' ' 3' ' ' VAL . 73.0 mt -122.06 122.34 39.05 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -139.15 112.99 8.5 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.597 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 1' ' ' ILE . . . . . 0.474 HD13 HD11 ' U' ' 7' ' ' ILE . 82.0 mt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -112.95 123.03 49.38 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -117.86 121.23 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -119.29 130.27 55.32 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.215 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 5' ' ' LEU . . . . . 0.624 ' C ' HD13 ' I' ' 5' ' ' LEU . 2.8 tm? -121.52 114.48 21.29 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -131.74 117.25 18.35 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.517 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 7' ' ' ILE . . . . . 0.425 HD11 HD13 ' Y' ' 1' ' ' ILE . 43.2 pt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.775 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -110.17 124.16 51.05 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 63.8 t -115.46 125.07 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -118.62 129.79 55.51 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 5' ' ' LEU . . . . . 0.408 HD11 HD11 ' Y' ' 5' ' ' LEU . 76.6 mt -120.95 122.86 41.09 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -141.3 111.57 6.83 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 pt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.585 -179.032 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' O' O ' 1' ' ' ILE . . . . . 0.482 HD12 HD12 ' A' ' 7' ' ' ILE . 82.2 mt . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.63 122.8 48.27 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.96 121.62 67.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.93 131.1 56.02 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-O 120.622 0.249 . . . . 0.0 111.249 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 5' ' ' LEU . . . . . 0.676 HD13 ' C ' ' O' ' 5' ' ' LEU . 2.7 tm? -122.08 118.46 28.78 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -133.88 119.25 18.91 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 7' ' ' ILE . . . . . 0.482 HD12 HD12 ' A' ' 1' ' ' ILE . 44.7 pt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.957 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -111.42 123.82 50.99 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 3' ' ' VAL . . . . . 0.641 HG11 HD13 ' C' ' 5' ' ' LEU . 58.2 t -116.09 124.79 72.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -118.83 129.66 55.34 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 5' ' ' LEU . . . . . 0.582 HD13 HG11 ' C' ' 3' ' ' VAL . 73.1 mt -121.87 123.42 41.7 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -138.77 112.59 8.43 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Q' Q ' 7' ' ' ILE . . . . . 0.467 HG12 HG22 ' S' ' 7' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.676 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 1' ' ' ILE . . . . . 0.422 HD13 HD11 ' C' ' 7' ' ' ILE . 83.5 mt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.51 123.04 49.05 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.9 121.32 67.08 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -119.27 130.57 55.49 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.199 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 5' ' ' LEU . . . . . 0.655 ' C ' HD13 ' S' ' 5' ' ' LEU . 2.7 tm? -122.01 116.63 24.64 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -133.13 118.27 18.5 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.278 0.561 . . . . 0.0 109.576 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 7' ' ' ILE . . . . . 0.467 HG22 HG12 ' Q' ' 7' ' ' ILE . 46.7 pt . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.703 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 90.6 mt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -111.17 123.79 50.91 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 3' ' ' VAL . . . . . 0.549 HG11 HD13 ' G' ' 5' ' ' LEU . 57.8 t -115.72 124.64 72.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -118.33 129.48 55.46 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 5' ' ' LEU . . . . . 0.54 HD11 HD11 ' G' ' 5' ' ' LEU . 72.3 mt -121.77 121.86 38.21 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -138.77 112.7 8.5 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' U' U ' 7' ' ' ILE . . . . . 0.474 HD11 HD13 ' I' ' 1' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.625 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.568 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 81.8 mt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -112.98 123.05 49.42 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -117.71 121.16 66.79 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -119.28 130.23 55.31 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.103 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 5' ' ' LEU . . . . . 0.629 ' C ' HD13 ' W' ' 5' ' ' LEU . 2.7 tm? -121.89 114.45 21.04 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -131.78 117.86 19.14 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.72 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 7' ' ' ILE . . . . . 0.416 HG22 HG12 ' U' ' 7' ' ' ILE . 42.7 pt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.801 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 1' ' ' ILE . . . . . 0.425 HD13 HD11 ' I' ' 7' ' ' ILE . 90.3 mt . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -110.26 123.99 50.8 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 64.7 t -115.61 125.04 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.39 129.81 55.63 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 5' ' ' LEU . . . . . 0.408 HD11 HD11 ' K' ' 5' ' ' LEU . 76.8 mt -120.57 121.66 38.88 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -139.95 111.75 7.41 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 pt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.589 -179.11 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.619 ' O ' HD13 ' C' ' 1' ' ' ILE . 95.7 mt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -115.02 121.99 44.83 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.605 HG11 HD13 ' O' ' 5' ' ' LEU . 42.2 t -119.05 122.43 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.63 130.95 56.15 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.911 HD11 HD11 ' O' ' 5' ' ' LEU . 74.8 mt -122.47 118.14 27.63 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.616 179.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -127.02 105.97 8.96 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.203 -178.908 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 1' ' ' ILE . . . . . 0.619 HD13 ' O ' ' A' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -112.68 123.05 49.42 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 176.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.559 HG11 HD22 ' Q' ' 5' ' ' LEU . 70.1 t -116.1 125.44 73.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -118.04 129.37 55.52 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' LEU . . . . . 0.574 HD22 HG11 ' Q' ' 3' ' ' VAL . 44.3 tp -126.21 124.83 41.3 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.822 0.344 . . . . 0.0 110.733 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -136.45 114.71 11.63 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.102 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.642 ' H ' HD12 ' C' ' 7' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.287 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 1' ' ' ILE . . . . . 0.581 ' O ' HD13 ' G' ' 1' ' ' ILE . 81.1 mt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.88 122.11 46.03 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.601 HG11 HD13 ' S' ' 5' ' ' LEU . 44.1 t -119.11 122.13 68.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.77 130.41 55.78 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.934 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 5' ' ' LEU . . . . . 1.073 HD11 HD11 ' S' ' 5' ' ' LEU . 62.7 mt -122.52 116.89 24.69 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.873 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 6' ' ' GLN . . . . . 0.416 ' O ' HD12 ' C' ' 7' ' ' ILE . 52.2 tt0 -124.86 107.18 10.63 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 7' ' ' ILE . . . . . 0.401 HG12 HD13 ' C' ' 7' ' ' ILE . 4.6 mt . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.351 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 1' ' ' ILE . . . . . 0.581 HD13 ' O ' ' E' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -112.25 123.11 49.57 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.539 -0.864 . . . . 0.0 108.838 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.52 HG11 HD22 ' U' ' 5' ' ' LEU . 63.9 t -116.38 125.12 73.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -118.1 129.31 55.47 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 5' ' ' LEU . . . . . 0.528 HD22 HG11 ' U' ' 3' ' ' VAL . 45.4 tp -126.2 124.59 40.79 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.986 0.422 . . . . 0.0 110.827 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -135.78 111.84 9.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.323 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 7' ' ' ILE . . . . . 0.551 ' H ' HD12 ' G' ' 7' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.335 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 1' ' ' ILE . . . . . 0.529 HG23 HG22 ' G' ' 1' ' ' ILE . 68.5 mt . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -113.46 122.35 47.03 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.618 HG11 HD13 ' W' ' 5' ' ' LEU . 45.8 t -118.98 122.03 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.86 129.75 55.38 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.893 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 5' ' ' LEU . . . . . 1.048 HD11 HD11 ' W' ' 5' ' ' LEU . 58.7 mt -122.26 112.82 18.61 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.052 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 6' ' ' GLN . . . . . 0.481 ' O ' HD12 ' G' ' 7' ' ' ILE . 52.1 tt0 -120.81 106.82 12.03 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.553 -179.53 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' K' K ' 1' ' ' ILE . . . . . 0.441 HD13 ' O ' ' I' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.764 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.86 123.12 49.5 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 62.9 t -116.3 125.49 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -118.09 129.41 55.53 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 5' ' ' LEU . . . . . 0.435 ' HG ' HD11 ' K' ' 7' ' ' ILE . 42.9 tp -126.68 124.52 40.02 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.885 0.374 . . . . 0.0 110.71 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -136.26 109.22 7.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.171 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 7' ' ' ILE . . . . . 0.522 ' H ' HD12 ' K' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.269 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 1' ' ' ILE . . . . . 0.654 ' O ' HD13 ' Q' ' 1' ' ' ILE . 92.3 mt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -115.11 122.11 45.09 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 3' ' ' VAL . . . . . 0.633 HG11 HD13 ' A' ' 5' ' ' LEU . 42.2 t -119.04 122.3 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.1 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.53 131.0 56.23 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 5' ' ' LEU . . . . . 0.911 HD11 HD11 ' A' ' 5' ' ' LEU . 76.2 mt -122.29 119.51 31.35 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -127.82 106.66 9.27 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.194 -178.761 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' Q' Q ' 1' ' ' ILE . . . . . 0.654 HD13 ' O ' ' O' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -113.11 123.01 49.26 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 176.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 3' ' ' VAL . . . . . 0.574 HG11 HD22 ' C' ' 5' ' ' LEU . 63.9 t -116.44 125.52 73.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.13 129.51 55.57 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 5' ' ' LEU . . . . . 0.559 HD22 HG11 ' C' ' 3' ' ' VAL . 45.5 tp -126.49 124.73 40.73 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.753 0.311 . . . . 0.0 110.728 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -135.97 116.48 13.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.214 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Q' Q ' 7' ' ' ILE . . . . . 0.632 ' H ' HD12 ' Q' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.234 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 1' ' ' ILE . . . . . 0.594 ' O ' HD13 ' U' ' 1' ' ' ILE . 75.3 mt . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -114.37 122.25 46.08 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 3' ' ' VAL . . . . . 0.667 HG11 HD13 ' E' ' 5' ' ' LEU . 43.1 t -119.28 122.22 68.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 177.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.64 130.65 55.98 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.775 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 5' ' ' LEU . . . . . 1.073 HD11 HD11 ' E' ' 5' ' ' LEU . 65.1 mt -122.35 116.9 24.85 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.815 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -125.29 106.92 10.21 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 mt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.222 -179.175 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' U' U ' 1' ' ' ILE . . . . . 0.594 HD13 ' O ' ' S' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -112.34 122.84 48.87 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 119.647 -0.821 . . . . 0.0 108.846 175.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 3' ' ' VAL . . . . . 0.528 HG11 HD22 ' G' ' 5' ' ' LEU . 65.2 t -116.58 125.52 73.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -118.06 129.48 55.58 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 5' ' ' LEU . . . . . 0.52 HD22 HG11 ' G' ' 3' ' ' VAL . 46.1 tp -126.35 123.79 38.8 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.904 0.383 . . . . 0.0 110.78 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -134.96 112.44 10.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.343 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' U' U ' 7' ' ' ILE . . . . . 0.561 ' H ' HD12 ' U' ' 7' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.305 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 1' ' ' ILE . . . . . 0.521 HG23 HG22 ' U' ' 1' ' ' ILE . 70.6 mt . . . . . 0 N--CA 1.493 1.711 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -113.6 122.39 47.08 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 3' ' ' VAL . . . . . 0.685 HG11 HD13 ' I' ' 5' ' ' LEU . 44.5 t -119.16 122.08 68.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.45 129.83 55.61 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 118.312 0.505 . . . . 0.0 111.719 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 5' ' ' LEU . . . . . 1.048 HD11 HD11 ' I' ' 5' ' ' LEU . 62.6 mt -122.39 112.37 18.0 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.087 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 6' ' ' GLN . . . . . 0.495 ' O ' HD12 ' U' ' 7' ' ' ILE . 52.3 tt0 -120.76 107.22 12.49 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 mt . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.517 -179.437 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' Y' Y ' 1' ' ' ILE . . . . . 0.448 HD13 ' O ' ' W' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -110.4 122.71 48.36 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 67.4 t -116.43 125.87 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -118.21 129.9 55.76 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 5' ' ' LEU . . . . . 0.402 ' HG ' HD11 ' Y' ' 7' ' ' ILE . 43.3 tp -126.56 123.99 38.96 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.891 0.377 . . . . 0.0 110.823 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -135.82 108.97 7.72 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.05 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 7' ' ' ILE . . . . . 0.522 ' H ' HD12 ' Y' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.22 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -113.15 122.86 48.79 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.7 t -117.88 122.23 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.54 131.32 56.22 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 120.607 0.241 . . . . 0.0 111.18 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.471 HD12 ' CG1' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -137.32 112.87 9.41 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.333 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -112.43 113.44 25.63 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.471 ' CG1' HD12 ' A' ' 5' ' ' LEU . 6.3 mt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.016 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.81 124.63 52.39 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -114.83 125.28 72.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -118.07 129.23 55.44 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' LEU . . . . . 0.48 ' HB3' HD22 ' E' ' 5' ' ' LEU . 0.0 OUTLIER -138.12 119.26 14.5 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.932 0.396 . . . . 0.0 110.036 -179.263 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -120.87 112.23 18.53 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.098 -179.003 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.15 123.25 49.79 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.407 HG11 ' HG ' ' S' ' 5' ' ' LEU . 49.1 t -117.77 121.88 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.001 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -118.74 130.4 55.79 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-O 120.885 0.374 . . . . 0.0 111.107 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 5' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' C' ' 5' ' ' LEU . 0.0 OUTLIER -134.91 113.25 11.35 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.793 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -113.92 115.25 27.38 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 7' ' ' ILE . . . . . 0.47 ' CG1' HD12 ' E' ' 5' ' ' LEU . 4.5 mt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.055 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 94.9 mt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -110.13 124.75 52.1 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 65.5 t -114.87 125.3 72.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -117.97 128.73 55.08 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 5' ' ' LEU . . . . . 0.476 ' HB3' HD22 ' I' ' 5' ' ' LEU . 0.0 OUTLIER -136.39 118.6 15.54 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.825 0.345 . . . . 0.0 110.119 -179.079 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -120.85 110.96 16.95 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.193 -179.243 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -113.06 123.54 50.53 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.409 HG11 ' HG ' ' W' ' 5' ' ' LEU . 47.7 t -117.71 122.17 69.16 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.001 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -118.53 130.12 55.74 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.29 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 5' ' ' LEU . . . . . 0.48 HD12 ' CG1' ' I' ' 7' ' ' ILE . 0.0 OUTLIER -134.18 112.07 10.8 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.992 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -113.34 116.68 30.07 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 7' ' ' ILE . . . . . 0.48 ' CG1' HD12 ' I' ' 5' ' ' LEU . 4.5 mt . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.218 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 95.1 mt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -107.71 125.3 51.21 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 65.0 t -114.7 125.5 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -118.11 129.37 55.5 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.35 119.2 16.24 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -178.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -122.53 108.57 13.3 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.15 -179.151 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -112.35 123.0 49.33 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 48.0 t -117.93 122.28 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.57 131.19 56.21 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 120.66 0.267 . . . . 0.0 111.135 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 5' ' ' LEU . . . . . 0.459 HD12 ' CG1' ' O' ' 7' ' ' ILE . 0.0 OUTLIER -137.12 112.52 9.27 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.379 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -111.97 113.69 26.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 7' ' ' ILE . . . . . 0.459 ' CG1' HD12 ' O' ' 5' ' ' LEU . 6.0 mt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.088 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 94.3 mt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.83 124.56 52.27 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 68.5 t -114.77 125.27 72.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.18 129.19 55.36 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 5' ' ' LEU . . . . . 0.496 ' HB3' HD22 ' S' ' 5' ' ' LEU . 0.0 OUTLIER -138.22 119.07 14.18 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.174 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -120.51 112.28 18.74 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Q' Q ' 7' ' ' ILE . . . . . 0.403 HD13 HG21 ' Q' ' 7' ' ' ILE . 7.3 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.08 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.34 123.33 49.86 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 3' ' ' VAL . . . . . 0.418 HG11 ' HG ' ' E' ' 5' ' ' LEU . 47.9 t -117.89 121.95 68.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -118.69 130.35 55.79 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-O 120.849 0.357 . . . . 0.0 111.052 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 5' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' Q' ' 5' ' ' LEU . 0.0 OUTLIER -134.86 112.8 10.97 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.76 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -113.42 115.54 28.22 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 7' ' ' ILE . . . . . 0.475 ' CG1' HD12 ' S' ' 5' ' ' LEU . 4.7 mt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.007 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 93.3 mt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.17 124.81 52.23 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 67.2 t -114.93 125.4 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -118.0 128.78 55.12 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 5' ' ' LEU . . . . . 0.472 ' HB3' HD22 ' W' ' 5' ' ' LEU . 0.0 OUTLIER -136.67 118.46 15.1 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.889 0.376 . . . . 0.0 110.114 -179.139 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -120.63 111.21 17.36 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.234 -179.291 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -113.17 123.54 50.46 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 3' ' ' VAL . . . . . 0.411 HG11 ' HG ' ' I' ' 5' ' ' LEU . 47.2 t -117.62 122.15 69.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -118.48 129.94 55.66 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.185 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 5' ' ' LEU . . . . . 0.487 HD12 ' CG1' ' W' ' 7' ' ' ILE . 0.0 OUTLIER -134.15 111.92 10.7 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.028 179.721 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -113.15 116.89 30.54 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 7' ' ' ILE . . . . . 0.487 ' CG1' HD12 ' W' ' 5' ' ' LEU . 4.4 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.12 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -107.6 125.06 50.85 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 67.1 t -114.71 125.42 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -117.87 129.62 55.76 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.6 119.86 16.76 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.798 0.333 . . . . 0.0 110.203 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -122.83 108.7 13.3 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.085 -0.96 . . . . 0.0 110.086 -179.131 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.501 HG21 HD12 ' O' ' 7' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.527 0.68 . . . . 0.0 109.446 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -113.9 122.66 47.68 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.432 HG21 ' CD2' ' O' ' 5' ' ' LEU . 62.5 t -118.02 121.77 68.09 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.53 131.56 56.22 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 120.662 0.268 . . . . 0.0 111.179 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.436 ' CD2' HG21 ' O' ' 3' ' ' VAL . 63.1 tp -120.11 121.51 39.0 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.312 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -129.39 116.72 19.46 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 177.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.495 HD12 HG21 ' O' ' 1' ' ' ILE . 48.5 pt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.893 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -111.79 123.89 51.2 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.635 HG11 HD13 ' Q' ' 5' ' ' LEU . 58.5 t -115.7 125.09 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 177.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.98 130.19 55.56 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' LEU . . . . . 0.654 HD13 HG11 ' Q' ' 3' ' ' VAL . 73.1 mt -121.83 125.22 45.99 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -138.32 115.74 11.2 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.51 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 1' ' ' ILE . . . . . 0.438 HG21 HD12 ' S' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.368 0.604 . . . . 0.0 109.557 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -114.18 122.58 47.24 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.04 121.23 66.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.8 131.4 56.1 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-O 120.583 0.23 . . . . 0.0 111.216 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 5' ' ' LEU . . . . . 0.403 HD11 ' CG2' ' E' ' 7' ' ' ILE . 62.8 tp -120.02 121.72 39.55 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.087 0.47 . . . . 0.0 110.828 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.8 116.34 18.58 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 7' ' ' ILE . . . . . 0.431 HD12 HG21 ' S' ' 1' ' ' ILE . 44.5 pt . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.959 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -111.23 124.08 51.5 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.614 HG11 HD13 ' U' ' 5' ' ' LEU . 57.7 t -115.54 125.04 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.8 129.96 55.52 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 5' ' ' LEU . . . . . 0.624 HD13 HG11 ' U' ' 3' ' ' VAL . 73.0 mt -121.53 124.35 44.18 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.767 0.318 . . . . 0.0 110.145 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -137.54 115.55 11.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.544 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -114.0 122.64 47.55 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 61.0 t -118.09 121.22 66.74 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -119.0 131.34 56.0 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.512 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 5' ' ' LEU . . . . . 0.408 HD11 ' CG2' ' I' ' 7' ' ' ILE . 61.7 tp -119.76 121.2 38.64 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.023 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.43 115.37 17.4 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 7' ' ' ILE . . . . . 0.408 ' CG2' HD11 ' I' ' 5' ' ' LEU . 39.6 pt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.076 -0.964 . . . . 0.0 111.023 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -109.03 124.42 50.7 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.492 HG11 HD13 ' Y' ' 5' ' ' LEU . 62.6 t -115.18 124.97 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -118.77 130.02 55.56 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 5' ' ' LEU . . . . . 0.491 HD13 HG11 ' Y' ' 3' ' ' VAL . 76.5 mt -120.66 123.48 42.88 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.846 0.355 . . . . 0.0 110.409 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -137.5 115.79 11.82 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.452 -178.727 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' O' O ' 1' ' ' ILE . . . . . 0.495 HG21 HD12 ' A' ' 7' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.487 0.661 . . . . 0.0 109.485 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -113.87 122.59 47.48 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 3' ' ' VAL . . . . . 0.436 HG21 ' CD2' ' A' ' 5' ' ' LEU . 62.5 t -117.98 121.76 68.08 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.46 131.53 56.26 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-O 120.655 0.264 . . . . 0.0 111.216 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 5' ' ' LEU . . . . . 0.432 ' CD2' HG21 ' A' ' 3' ' ' VAL . 62.9 tp -120.1 121.55 39.09 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.307 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -129.39 116.68 19.39 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 7' ' ' ILE . . . . . 0.501 HD12 HG21 ' A' ' 1' ' ' ILE . 48.6 pt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.92 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -111.77 123.93 51.28 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 3' ' ' VAL . . . . . 0.654 HG11 HD13 ' C' ' 5' ' ' LEU . 58.4 t -115.71 125.03 72.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.87 130.26 55.64 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 5' ' ' LEU . . . . . 0.635 HD13 HG11 ' C' ' 3' ' ' VAL . 73.7 mt -121.88 125.24 45.98 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -138.32 115.77 11.23 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.471 0.585 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.496 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 1' ' ' ILE . . . . . 0.431 HG21 HD12 ' E' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.334 0.587 . . . . 0.0 109.512 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -114.16 122.61 47.34 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.08 121.27 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.83 131.43 56.08 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 120.553 0.216 . . . . 0.0 111.15 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 5' ' ' LEU . . . . . 0.401 HD11 ' CG2' ' S' ' 7' ' ' ILE . 63.0 tp -120.0 121.68 39.48 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.018 0.437 . . . . 0.0 110.831 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.83 116.34 18.56 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 7' ' ' ILE . . . . . 0.438 HD12 HG21 ' E' ' 1' ' ' ILE . 44.8 pt . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.927 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -111.18 124.1 51.52 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 3' ' ' VAL . . . . . 0.624 HG11 HD13 ' G' ' 5' ' ' LEU . 57.7 t -115.49 125.07 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -118.83 130.05 55.55 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 5' ' ' LEU . . . . . 0.614 HD13 HG11 ' G' ' 3' ' ' VAL . 72.9 mt -121.59 124.33 44.1 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 120.774 0.321 . . . . 0.0 110.146 179.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -137.53 115.51 11.56 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.571 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 1' ' ' ILE . . . . . 0.405 HG21 HD12 ' I' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -113.95 122.71 47.8 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 60.1 t -118.12 121.27 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.93 131.26 56.03 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.36 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 5' ' ' LEU . . . . . 0.407 HD11 ' CG2' ' W' ' 7' ' ' ILE . 61.9 tp -119.91 121.04 38.15 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.058 0.456 . . . . 0.0 110.99 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.36 115.44 17.55 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 7' ' ' ILE . . . . . 0.407 ' CG2' HD11 ' W' ' 5' ' ' LEU . 39.9 pt . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.993 -1.003 . . . . 0.0 111.035 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -108.92 124.46 50.71 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 3' ' ' VAL . . . . . 0.491 HG11 HD13 ' K' ' 5' ' ' LEU . 61.5 t -115.19 124.96 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -118.68 130.04 55.62 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 5' ' ' LEU . . . . . 0.492 HD13 HG11 ' K' ' 3' ' ' VAL . 76.1 mt -120.69 123.43 42.73 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 120.815 0.34 . . . . 0.0 110.389 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -137.48 115.99 12.01 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.454 -178.714 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.403 ' CD1' HD12 ' O' ' 7' ' ' ILE . 95.8 mt . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -113.46 122.79 48.36 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.4 t -118.32 122.77 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.16 131.58 56.39 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 121.023 0.439 . . . . 0.0 112.129 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.516 HD11 ' CG2' ' A' ' 7' ' ' ILE . 48.9 tp -118.68 121.71 40.77 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.489 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -137.77 107.15 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.516 ' CG2' HD11 ' A' ' 5' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.468 0.437 0 CA-C-O 117.887 -1.054 . . . . 0.0 109.939 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 1' ' ' ILE . . . . . 0.446 HD13 HD11 ' O' ' 7' ' ' ILE . 91.1 mt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -111.36 123.96 51.27 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 67.1 t -115.55 125.31 72.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.13 128.96 55.24 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' LEU . . . . . 0.658 HD11 HD11 ' Q' ' 5' ' ' LEU . 18.7 mt -123.75 111.54 16.27 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.392 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -127.38 115.2 18.58 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 pt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.111 -0.947 . . . . 0.0 110.283 -179.347 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.51 122.82 48.42 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -118.35 122.14 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -118.53 130.77 56.1 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 5' ' ' LEU . . . . . 0.512 HD11 ' CG2' ' E' ' 7' ' ' ILE . 51.2 tp -117.81 120.77 38.92 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.234 178.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -136.57 107.46 6.66 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 7' ' ' ILE . . . . . 0.544 HD11 HD13 ' U' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.469 0.505 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.837 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 1' ' ' ILE . . . . . 0.543 HD13 HD11 ' S' ' 7' ' ' ILE . 87.9 mt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.46 124.11 51.15 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 74.1 t -115.36 125.27 72.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.583 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -117.96 128.74 55.09 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 5' ' ' LEU . . . . . 0.599 HD11 HD11 ' U' ' 5' ' ' LEU . 23.2 mt -122.76 111.05 16.24 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.523 -178.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -126.93 115.69 19.66 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.315 0.578 . . . . 0.0 109.467 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 pt . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.325 -179.198 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -113.1 122.78 48.57 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -118.25 122.0 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -118.45 130.7 56.1 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 5' ' ' LEU . . . . . 0.507 HD11 ' CG2' ' I' ' 7' ' ' ILE . 53.4 tp -117.5 119.4 34.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.325 178.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -135.17 106.97 6.99 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 7' ' ' ILE . . . . . 0.539 HD11 HD13 ' Y' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.241 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 1' ' ' ILE . . . . . 0.52 HD13 HD11 ' W' ' 7' ' ' ILE . 89.4 mt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -107.72 124.28 49.78 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 86.1 t -115.2 125.48 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -117.81 128.84 55.25 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 5' ' ' LEU . . . . . 0.418 HD11 HD11 ' Y' ' 5' ' ' LEU . 42.2 mt -121.3 111.31 17.2 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.598 0.237 . . . . 0.0 110.557 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -128.62 114.29 16.49 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 46.2 pt . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.497 -179.105 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' O' O ' 1' ' ' ILE . . . . . 0.42 ' CD1' HD12 ' A' ' 7' ' ' ILE . 95.8 mt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -113.59 122.81 48.35 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -118.17 122.68 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.19 131.51 56.38 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-O 120.948 0.404 . . . . 0.0 112.021 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 5' ' ' LEU . . . . . 0.501 HD11 ' CG2' ' O' ' 7' ' ' ILE . 50.6 tp -118.78 121.88 41.11 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.561 178.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -137.65 107.14 6.15 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 7' ' ' ILE . . . . . 0.501 ' CG2' HD11 ' O' ' 5' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.511 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.034 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 1' ' ' ILE . . . . . 0.474 HD13 HD11 ' A' ' 7' ' ' ILE . 89.1 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -111.55 123.99 51.36 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 67.4 t -115.49 125.35 72.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -118.15 128.95 55.21 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 5' ' ' LEU . . . . . 0.658 HD11 HD11 ' C' ' 5' ' ' LEU . 18.5 mt -123.77 111.3 15.98 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 121.135 -0.226 . . . . 0.0 110.443 -178.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -127.07 114.65 18.03 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 pt . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.235 -179.368 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -113.72 122.83 48.31 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t -118.33 122.05 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -118.5 130.8 56.13 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 5' ' ' LEU . . . . . 0.504 HD11 ' CG2' ' S' ' 7' ' ' ILE . 52.8 tp -117.97 120.66 38.51 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.207 178.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -136.48 107.33 6.64 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 7' ' ' ILE . . . . . 0.543 HD11 HD13 ' G' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.91 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' U' U ' 1' ' ' ILE . . . . . 0.544 HD13 HD11 ' E' ' 7' ' ' ILE . 86.8 mt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.29 123.89 50.64 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -115.27 125.17 72.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -118.02 128.7 55.03 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 5' ' ' LEU . . . . . 0.599 HD11 HD11 ' G' ' 5' ' ' LEU . 22.8 mt -122.98 110.61 15.59 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.541 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -126.37 115.75 20.12 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 45.8 pt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.397 -179.3 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -113.26 122.89 48.82 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -118.2 122.07 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 32.4 t-80 -118.4 130.53 56.04 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 5' ' ' LEU . . . . . 0.509 HD11 ' CG2' ' W' ' 7' ' ' ILE . 51.9 tp -117.71 119.23 34.3 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.313 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -135.14 106.99 7.01 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 7' ' ' ILE . . . . . 0.52 HD11 HD13 ' K' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.413 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Y' Y ' 1' ' ' ILE . . . . . 0.539 HD13 HD11 ' I' ' 7' ' ' ILE . 86.3 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -107.73 124.13 49.56 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 82.3 t -115.37 125.61 72.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -117.88 129.07 55.41 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 5' ' ' LEU . . . . . 0.418 HD11 HD11 ' K' ' 5' ' ' LEU . 43.4 mt -121.4 110.78 16.5 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.622 0.249 . . . . 0.0 110.495 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -128.15 114.12 16.6 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 46.7 pt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.34 -179.012 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -113.63 123.71 50.58 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.39 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.8 122.75 70.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.6 130.99 56.19 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 120.63 0.253 . . . . 0.0 110.886 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.66 108.99 7.81 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.845 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -106.46 111.54 24.15 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.8 mt . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.237 -179.421 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -111.33 123.08 49.48 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.439 HG23 ' O ' ' C' ' 3' ' ' VAL . 34.9 m -116.59 125.69 73.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -118.62 129.48 55.34 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' LEU . . . . . 0.414 ' HB2' HD22 ' E' ' 5' ' ' LEU . 4.3 mp -135.59 128.9 32.04 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.805 0.336 . . . . 0.0 110.538 178.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -122.84 109.5 14.26 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.629 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 76.9 mt . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.36 179.872 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.56 124.29 52.0 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.64 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.417 HG11 ' HG ' ' S' ' 5' ' ' LEU . 45.4 t -117.79 122.7 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.45 130.56 56.03 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 120.95 0.405 . . . . 0.0 110.95 176.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 5' ' ' LEU . . . . . 0.425 ' HG ' HG11 ' S' ' 3' ' ' VAL . 0.0 OUTLIER -135.18 107.7 7.37 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.944 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -106.93 113.48 26.99 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.674 -0.41 . . . . 0.0 109.998 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 24.3 mt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.21 -179.235 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 93.2 mt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -110.91 123.37 50.02 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.424 ' O ' HG23 ' G' ' 3' ' ' VAL . 34.8 m -115.98 126.09 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 176.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -118.53 129.43 55.35 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 5' ' ' LEU . . . . . 0.473 ' HB2' HD22 ' I' ' 5' ' ' LEU . 4.5 mp -135.92 128.49 30.64 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.702 0.287 . . . . 0.0 110.548 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -122.46 109.16 14.02 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.836 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 79.3 mt . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.442 179.866 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 93.7 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -113.84 124.25 51.78 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.053 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.498 HG11 ' HG ' ' W' ' 5' ' ' LEU . 42.8 t -117.75 122.59 70.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.484 177.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.39 130.17 55.83 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-O 120.961 0.41 . . . . 0.0 111.082 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 5' ' ' LEU . . . . . 0.484 ' HG ' HG11 ' W' ' 3' ' ' VAL . 0.0 OUTLIER -134.92 107.12 7.18 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.812 179.692 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -106.51 113.99 27.83 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.117 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.259 -179.257 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 89.1 mt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -110.09 124.72 52.0 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.459 ' O ' HG23 ' K' ' 3' ' ' VAL . 35.9 m -115.5 125.82 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -118.31 129.58 55.53 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -136.12 127.53 28.49 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.534 0.207 . . . . 0.0 110.538 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -122.12 107.55 12.31 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 79.5 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.348 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.51 123.77 50.8 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -117.7 122.75 70.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.26 130.91 56.33 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 120.743 0.306 . . . . 0.0 110.993 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 5' ' ' LEU . . . . . 0.407 ' HA ' HD13 ' O' ' 5' ' ' LEU . 0.0 OUTLIER -135.75 110.11 8.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.712 179.673 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -108.19 111.02 22.8 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.226 -179.342 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -110.94 122.91 49.07 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 3' ' ' VAL . . . . . 0.434 HG23 ' O ' ' Q' ' 3' ' ' VAL . 34.8 m -116.39 126.0 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 176.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -118.66 129.76 55.48 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 5' ' ' LEU . . . . . 0.44 ' HB2' HD22 ' S' ' 5' ' ' LEU . 4.3 mp -136.49 127.46 27.66 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.805 0.336 . . . . 0.0 110.626 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -121.69 109.56 14.88 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.672 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.378 179.796 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -113.55 124.11 51.58 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.094 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 3' ' ' VAL . . . . . 0.425 HG11 ' HG ' ' E' ' 5' ' ' LEU . 44.2 t -117.76 122.67 70.33 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.036 178.16 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.91 130.21 55.6 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-O 120.887 0.375 . . . . 0.0 110.862 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 5' ' ' LEU . . . . . 0.44 HD22 ' HB2' ' Q' ' 5' ' ' LEU . 0.0 OUTLIER -134.32 108.62 8.31 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.872 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -107.62 113.03 26.05 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.278 -179.248 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 93.0 mt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -110.74 123.38 49.93 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' U' U ' 3' ' ' VAL . . . . . 0.429 ' O ' HG23 ' U' ' 3' ' ' VAL . 34.8 m -116.1 125.71 73.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 176.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -118.13 129.43 55.53 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' U' U ' 5' ' ' LEU . . . . . 0.47 ' HB2' HD22 ' W' ' 5' ' ' LEU . 4.5 mp -135.92 127.48 28.79 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.742 0.306 . . . . 0.0 110.711 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -121.57 109.15 14.44 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.849 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--O 1.222 -0.367 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.417 179.8 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 94.1 mt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -113.5 124.02 51.39 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 3' ' ' VAL . . . . . 0.484 HG11 ' HG ' ' I' ' 5' ' ' LEU . 44.6 t -117.8 122.36 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.31 177.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.54 130.44 55.91 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 120.925 0.393 . . . . 0.0 111.002 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 5' ' ' LEU . . . . . 0.498 ' HG ' HG11 ' I' ' 3' ' ' VAL . 0.0 OUTLIER -135.77 107.1 6.82 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.922 179.734 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -106.75 114.16 28.09 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.218 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.236 -179.286 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -110.09 124.68 51.94 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Y' Y ' 3' ' ' VAL . . . . . 0.449 HG23 ' O ' ' Y' ' 3' ' ' VAL . 35.3 m -115.55 125.78 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.26 129.65 55.59 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -136.14 127.82 28.98 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 121.232 -0.187 . . . . 0.0 110.571 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -122.76 106.98 11.4 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 81.3 mt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.335 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.419 HG21 HD13 ' O' ' 7' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.529 0.681 . . . . 0.0 109.922 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -113.72 123.37 49.72 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.539 HG11 HD13 ' O' ' 5' ' ' LEU . 65.7 t -117.35 122.07 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.46 131.21 56.27 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 120.453 0.168 . . . . 0.0 110.718 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.448 HD11 HD11 ' O' ' 5' ' ' LEU . 53.3 mt -115.75 111.47 20.6 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -126.52 105.57 8.84 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.809 ' O ' HD12 ' A' ' 7' ' ' ILE . 1.5 pp . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.115 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 89.5 mt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -111.72 122.75 48.64 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 60.0 t -116.5 125.44 73.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.31 130.05 55.81 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' LEU . . . . . 0.5 HD23 ' N ' ' C' ' 6' ' ' GLN . 1.5 tt -115.93 117.15 29.35 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 6' ' ' GLN . . . . . 0.5 ' N ' HD23 ' C' ' 5' ' ' LEU . 51.0 tt0 -137.54 120.47 16.5 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.251 0.548 . . . . 0.0 110.674 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pt . . . . . 0 N--CA 1.471 0.605 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.729 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 1' ' ' ILE . . . . . 0.545 HG21 HD13 ' S' ' 7' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.48 0.657 . . . . 0.0 109.962 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -114.38 123.29 49.1 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.846 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 75.4 t -117.58 121.8 68.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.67 131.11 56.16 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.0 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 5' ' ' LEU . . . . . 0.474 HD11 HD11 ' S' ' 5' ' ' LEU . 43.8 mt -114.94 113.4 24.09 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.448 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -129.44 105.24 7.96 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.605 0.717 . . . . 0.0 109.334 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 7' ' ' ILE . . . . . 0.818 ' O ' HD12 ' E' ' 7' ' ' ILE . 1.3 pp . . . . . 0 C--O 1.218 -0.584 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.911 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 1' ' ' ILE . . . . . 0.568 HD13 HD11 ' S' ' 7' ' ' ILE . 86.9 mt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -111.29 123.08 49.49 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -116.28 125.4 73.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -118.03 129.83 55.81 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 5' ' ' LEU . . . . . 0.49 HD23 ' N ' ' G' ' 6' ' ' GLN . 1.5 tt -115.27 116.8 28.91 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 6' ' ' GLN . . . . . 0.49 ' N ' HD23 ' G' ' 5' ' ' LEU . 50.6 tt0 -137.7 119.42 15.11 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.458 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 7' ' ' ILE . . . . . 0.417 HD11 ' HB ' ' I' ' 7' ' ' ILE . 1.9 pt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 1' ' ' ILE . . . . . 0.508 HG21 HD13 ' W' ' 7' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.258 0.551 . . . . 0.0 109.826 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -114.4 123.43 49.44 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.978 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 98.2 t -117.72 121.89 68.51 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -118.6 130.92 56.15 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.306 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 5' ' ' LEU . . . . . 0.445 HD11 HD11 ' W' ' 5' ' ' LEU . 43.5 mt -114.38 112.72 23.5 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.835 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -129.46 104.85 7.71 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 121.587 0.708 . . . . 0.0 109.638 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 7' ' ' ILE . . . . . 0.838 ' O ' HD12 ' I' ' 7' ' ' ILE . 1.3 pp . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.903 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 1' ' ' ILE . . . . . 0.669 HD13 HD11 ' W' ' 7' ' ' ILE . 89.6 mt . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -107.84 123.88 49.25 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 57.9 t -115.71 125.46 72.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -117.97 129.89 55.87 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 5' ' ' LEU . . . . . 0.467 HD23 ' N ' ' K' ' 6' ' ' GLN . 1.5 tt -114.61 115.5 27.26 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 6' ' ' GLN . . . . . 0.467 ' N ' HD23 ' K' ' 5' ' ' LEU . 50.5 tt0 -138.01 119.64 15.05 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.205 0.526 . . . . 0.0 110.343 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 pt . . . . . 0 C--O 1.222 -0.393 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.601 -179.337 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.534 0.683 . . . . 0.0 109.834 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -113.75 123.45 49.88 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 3' ' ' VAL . . . . . 0.408 HG11 HD13 ' A' ' 5' ' ' LEU . 67.0 t -117.23 122.11 69.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.5 131.3 56.25 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 120.558 0.218 . . . . 0.0 110.62 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 5' ' ' LEU . . . . . 0.539 HD13 HG11 ' A' ' 3' ' ' VAL . 58.0 mt -116.3 110.2 18.41 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -125.17 106.15 9.68 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 7' ' ' ILE . . . . . 0.817 ' O ' HD12 ' O' ' 7' ' ' ILE . 1.6 pp . . . . . 0 N--CA 1.47 0.554 0 CA-C-O 117.93 -1.033 . . . . 0.0 111.195 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 1' ' ' ILE . . . . . 0.474 HD13 HD11 ' A' ' 7' ' ' ILE . 85.7 mt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -111.78 122.99 49.29 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 60.9 t -116.7 125.44 73.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -118.16 130.3 56.02 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Q' Q ' 5' ' ' LEU . . . . . 0.49 HD23 ' N ' ' Q' ' 6' ' ' GLN . 1.5 tt -116.59 115.84 26.47 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 6' ' ' GLN . . . . . 0.49 ' N ' HD23 ' Q' ' 5' ' ' LEU . 51.0 tt0 -136.08 120.88 18.53 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.165 0.507 . . . . 0.0 110.539 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 N--CA 1.471 0.589 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.722 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' S' S ' 1' ' ' ILE . . . . . 0.561 HG21 HD13 ' E' ' 7' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 121.537 0.684 . . . . 0.0 109.949 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -114.54 123.4 49.29 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.936 177.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 79.9 t -117.47 121.86 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.56 131.12 56.21 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.903 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 5' ' ' LEU . . . . . 0.474 HD11 HD11 ' E' ' 5' ' ' LEU . 45.2 mt -115.34 112.7 22.77 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.637 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -128.87 105.4 8.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.56 0.695 . . . . 0.0 109.23 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 7' ' ' ILE . . . . . 0.827 ' O ' HD12 ' S' ' 7' ' ' ILE . 1.3 pp . . . . . 0 C--O 1.218 -0.589 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.88 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' U' U ' 1' ' ' ILE . . . . . 0.626 HD13 HD11 ' E' ' 7' ' ' ILE . 84.4 mt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -110.99 123.29 49.9 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -116.33 125.44 73.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -117.88 130.0 55.98 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' U' U ' 5' ' ' LEU . . . . . 0.49 HD23 ' N ' ' U' ' 6' ' ' GLN . 1.4 tt -115.82 116.0 27.25 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' U' U ' 6' ' ' GLN . . . . . 0.49 ' N ' HD23 ' U' ' 5' ' ' LEU . 50.5 tt0 -137.24 119.64 15.83 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.131 0.491 . . . . 0.0 110.456 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 N--CA 1.469 0.498 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.79 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' W' W ' 1' ' ' ILE . . . . . 0.562 HG21 HD13 ' I' ' 7' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.255 0.55 . . . . 0.0 109.816 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -114.39 123.57 49.8 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.248 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 97.4 t -117.53 121.94 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -118.44 131.02 56.28 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.147 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 5' ' ' LEU . . . . . 0.445 HD11 HD11 ' I' ' 5' ' ' LEU . 43.9 mt -114.73 111.99 22.13 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.665 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -129.11 104.58 7.64 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 121.653 0.739 . . . . 0.0 109.382 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 7' ' ' ILE . . . . . 0.841 ' O ' HD12 ' W' ' 7' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.218 -0.561 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.473 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Y' Y ' 1' ' ' ILE . . . . . 0.595 HD13 HD11 ' I' ' 7' ' ' ILE . 90.1 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -107.76 123.78 49.05 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -115.96 125.46 73.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -117.85 130.09 56.05 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Y' Y ' 5' ' ' LEU . . . . . 0.46 HD23 ' N ' ' Y' ' 6' ' ' GLN . 1.5 tt -114.56 116.16 28.34 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Y' Y ' 6' ' ' GLN . . . . . 0.46 ' N ' HD23 ' Y' ' 5' ' ' LEU . 50.6 tt0 -138.58 119.52 14.35 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.278 0.561 . . . . 0.0 110.326 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 pt . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.478 -179.34 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -113.9 123.2 49.19 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.586 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -117.83 120.89 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -120.33 134.46 55.26 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.24 118.9 9.78 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.283 0.563 . . . . 0.0 109.978 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -108.75 112.11 24.23 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.547 ' HB ' HG22 ' C' ' 7' ' ' ILE . 14.5 mm . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.974 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -111.57 123.57 50.5 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -116.08 124.49 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -119.83 130.62 54.99 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' E' ' 5' ' ' LEU . 0.3 OUTLIER -144.54 125.38 14.29 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.744 178.294 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -116.33 113.78 23.42 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.708 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.547 HG22 ' HB ' ' A' ' 7' ' ' ILE . 28.2 pt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.46 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 98.0 mt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -114.34 123.23 48.99 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.016 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 59.2 t -118.16 120.53 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.6 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.63 132.85 55.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 5' ' ' LEU . . . . . 0.437 ' HB3' HD11 ' C' ' 5' ' ' LEU . 0.3 OUTLIER -142.32 121.6 13.08 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.517 0.675 . . . . 0.0 111.016 177.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -110.59 114.35 27.69 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.224 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 7' ' ' ILE . . . . . 0.524 ' HB ' HG22 ' G' ' 7' ' ' ILE . 11.6 mm . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.138 -0.934 . . . . 0.0 109.965 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -110.96 123.76 50.8 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -115.96 124.45 72.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -119.73 130.37 54.96 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 5' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' I' ' 5' ' ' LEU . 0.3 OUTLIER -144.99 126.67 15.2 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.544 0.688 . . . . 0.0 110.92 178.258 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -117.41 114.25 23.25 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.888 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 7' ' ' ILE . . . . . 0.524 HG22 ' HB ' ' E' ' 7' ' ' ILE . 27.5 pt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.602 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 97.6 mt . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -114.21 123.31 49.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.339 -0.391 . . . . 0.0 109.98 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -118.03 120.29 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.72 131.66 54.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 5' ' ' LEU . . . . . 0.483 ' HB3' HD11 ' G' ' 5' ' ' LEU . 0.3 OUTLIER -141.21 122.03 14.42 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.345 0.593 . . . . 0.0 111.072 178.073 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -110.51 114.81 28.53 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.445 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 10.9 mm . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.103 -179.903 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 88.1 mt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -107.79 124.21 49.72 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 69.0 t -115.55 124.77 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -119.47 130.81 55.42 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.0 129.34 17.79 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.04 0.448 . . . . 0.0 110.869 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -121.15 115.87 23.89 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.7 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 32.9 pt . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.244 -179.83 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 97.4 mt . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -113.89 123.3 49.43 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.56 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 62.1 t -117.77 120.91 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 120.369 -0.532 . . . . 0.0 109.71 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -120.41 134.37 55.28 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.34 119.61 10.2 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.34 0.591 . . . . 0.0 110.045 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -108.97 112.23 24.32 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 7' ' ' ILE . . . . . 0.536 ' HB ' HG22 ' Q' ' 7' ' ' ILE . 14.9 mm . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.014 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 93.4 mt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -111.98 123.5 50.39 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -116.13 124.34 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -119.85 130.61 54.96 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.2 126.2 15.42 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.572 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -116.88 114.1 23.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.62 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Q' Q ' 7' ' ' ILE . . . . . 0.536 HG22 ' HB ' ' O' ' 7' ' ' ILE . 26.6 pt . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.417 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 98.0 mt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -114.56 123.4 49.27 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.111 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -118.09 120.44 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.53 176.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.7 132.22 54.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.62 122.34 14.32 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.481 0.658 . . . . 0.0 110.848 178.153 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -111.14 114.26 27.38 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.192 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 7' ' ' ILE . . . . . 0.533 ' HB ' HG22 ' U' ' 7' ' ' ILE . 11.5 mm . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.936 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 91.9 mt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -111.28 123.87 51.08 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -116.03 124.36 72.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -119.71 130.28 54.93 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' U' U ' 5' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' W' ' 5' ' ' LEU . 0.3 OUTLIER -144.75 126.74 15.48 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.79 178.38 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -117.54 114.09 22.93 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.931 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' U' U ' 7' ' ' ILE . . . . . 0.533 HG22 ' HB ' ' S' ' 7' ' ' ILE . 26.7 pt . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.6 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 97.8 mt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -114.26 123.24 49.06 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.178 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -118.05 119.95 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.65 131.36 54.56 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 5' ' ' LEU . . . . . 0.478 ' HB3' HD11 ' U' ' 5' ' ' LEU . 0.3 OUTLIER -140.82 122.18 14.94 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.406 0.622 . . . . 0.0 111.139 178.326 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -110.89 114.89 28.57 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.459 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 mm . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.037 -179.835 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -107.87 124.15 49.66 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 68.6 t -115.63 124.74 72.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -119.37 130.94 55.59 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.27 128.88 17.11 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.052 0.453 . . . . 0.0 110.962 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -120.68 115.65 23.77 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.703 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 31.9 pt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.27 -179.803 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 97.9 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -113.4 122.11 46.37 Favored 'General case' 0 N--CA 1.436 -1.153 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.538 HG11 HD13 ' O' ' 5' ' ' LEU . 57.6 t -118.86 123.02 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -117.9 131.19 56.56 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 120.837 0.351 . . . . 0.0 111.946 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.668 HD11 HD11 ' O' ' 5' ' ' LEU . 64.9 mt -121.18 110.98 16.84 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -117.76 116.7 27.54 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.107 -178.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 85.1 mt . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.93 123.24 49.76 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 78.8 t -116.06 125.45 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.35 129.65 55.55 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' LEU . . . . . 0.574 HD21 HD11 ' C' ' 7' ' ' ILE . 46.2 tp -125.98 122.98 37.49 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.756 0.312 . . . . 0.0 110.185 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -130.68 119.26 22.14 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.574 HD11 HD21 ' C' ' 5' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.887 -1.054 . . . . 0.0 109.442 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -113.4 122.06 46.22 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.545 HG11 HD13 ' S' ' 5' ' ' LEU . 61.0 t -119.01 122.57 69.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -118.38 130.72 56.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 118.148 0.431 . . . . 0.0 111.799 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 5' ' ' LEU . . . . . 0.788 HD11 HD11 ' S' ' 5' ' ' LEU . 51.6 mt -120.5 110.58 16.64 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -117.8 117.49 29.46 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.017 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 83.5 mt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -110.32 123.4 49.76 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 66.1 t -115.82 125.48 72.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -118.16 129.72 55.68 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 5' ' ' LEU . . . . . 0.562 HD21 HD11 ' G' ' 7' ' ' ILE . 43.3 tp -126.36 122.62 35.9 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.801 0.334 . . . . 0.0 110.458 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -129.99 118.14 21.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.603 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 7' ' ' ILE . . . . . 0.562 HD11 HD21 ' G' ' 5' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.514 -179.233 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.81 122.24 46.46 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.536 HG11 HD13 ' W' ' 5' ' ' LEU . 60.2 t -118.85 122.28 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.45 130.72 56.12 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 118.339 0.518 . . . . 0.0 111.931 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 5' ' ' LEU . . . . . 0.84 HD11 HD11 ' W' ' 5' ' ' LEU . 46.2 mt -120.78 109.51 15.25 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.544 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -116.92 117.01 28.53 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 7' ' ' ILE . . . . . 0.402 HD13 HG21 ' I' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.139 -178.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 82.8 mt . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -107.7 123.77 49.01 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 72.4 t -115.6 125.8 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -117.87 129.96 55.96 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 121.199 -0.2 . . . . 0.0 110.462 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 5' ' ' LEU . . . . . 0.423 HD21 HD11 ' K' ' 7' ' ' ILE . 41.2 tp -126.66 123.09 36.76 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.771 0.32 . . . . 0.0 110.649 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -130.91 116.8 18.36 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 7' ' ' ILE . . . . . 0.423 HD11 HD21 ' K' ' 5' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.557 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 98.1 mt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -113.65 122.1 46.14 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 3' ' ' VAL . . . . . 0.54 HG11 HD13 ' A' ' 5' ' ' LEU . 56.9 t -118.81 122.94 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -117.81 131.22 56.6 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.901 0.382 . . . . 0.0 111.927 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 5' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 5' ' ' LEU . 64.6 mt -121.26 111.18 17.05 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -117.84 116.72 27.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 7' ' ' ILE . . . . . 0.41 HD13 HG21 ' O' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.118 -178.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 85.5 mt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -110.96 123.23 49.76 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 82.2 t -116.06 125.58 73.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -118.37 129.77 55.62 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 5' ' ' LEU . . . . . 0.586 HD21 HD11 ' Q' ' 7' ' ' ILE . 46.5 tp -126.18 123.12 37.52 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -130.96 119.29 21.88 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Q' Q ' 7' ' ' ILE . . . . . 0.586 HD11 HD21 ' Q' ' 5' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.422 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -113.68 122.14 46.24 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 3' ' ' VAL . . . . . 0.54 HG11 HD13 ' E' ' 5' ' ' LEU . 61.2 t -119.11 122.46 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.33 130.7 56.17 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 118.098 0.408 . . . . 0.0 111.733 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 5' ' ' LEU . . . . . 0.788 HD11 HD11 ' E' ' 5' ' ' LEU . 52.4 mt -120.57 110.4 16.4 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.539 179.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -117.63 117.52 29.6 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.918 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 84.0 mt . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -110.52 123.47 50.0 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 70.8 t -115.95 125.49 73.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -118.17 129.63 55.63 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' U' U ' 5' ' ' LEU . . . . . 0.574 HD21 HD11 ' U' ' 7' ' ' ILE . 42.3 tp -126.39 122.63 35.89 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.815 0.34 . . . . 0.0 110.389 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -129.92 118.33 21.5 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' U' U ' 7' ' ' ILE . . . . . 0.574 HD11 HD21 ' U' ' 5' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.603 -179.163 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.493 1.703 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -113.62 122.49 47.35 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 3' ' ' VAL . . . . . 0.512 HG11 HD13 ' I' ' 5' ' ' LEU . 61.1 t -118.9 122.32 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.42 130.51 56.01 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 118.276 0.489 . . . . 0.0 111.622 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 5' ' ' LEU . . . . . 0.84 HD11 HD11 ' I' ' 5' ' ' LEU . 48.7 mt -120.83 109.87 15.66 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -117.3 117.2 28.87 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.108 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -107.88 123.84 49.21 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 69.3 t -115.7 125.77 72.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -118.05 130.02 55.91 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.369 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Y' Y ' 5' ' ' LEU . . . . . 0.442 HD21 HD11 ' Y' ' 7' ' ' ILE . 41.5 tp -126.29 122.99 37.07 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.757 0.313 . . . . 0.0 110.698 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -130.98 116.22 17.54 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Y' Y ' 7' ' ' ILE . . . . . 0.442 HD11 HD21 ' Y' ' 5' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.553 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -114.15 122.09 45.75 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 3' ' ' VAL . 27.3 m -119.03 122.5 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.88 130.76 55.91 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 120.771 0.319 . . . . 0.0 111.847 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.602 HD11 HD11 ' O' ' 5' ' ' LEU . 87.4 mt -126.94 116.67 21.15 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -120.03 112.24 18.9 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.1 mm . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.389 -178.899 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -112.31 123.03 49.37 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.532 HG22 HG12 ' E' ' 3' ' ' VAL . 1.9 m -116.44 125.34 73.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 176.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -118.81 129.64 55.34 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' LEU . . . . . 0.43 HD22 HG21 ' Q' ' 3' ' ' VAL . 4.9 mp -133.38 122.12 23.31 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.095 0.474 . . . . 0.0 110.481 178.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -120.73 115.33 23.11 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 mm . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.402 -179.03 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -114.18 122.41 46.73 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.532 HG12 HG22 ' C' ' 3' ' ' VAL . 33.4 m -119.3 121.85 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.999 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.27 130.29 55.34 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.796 0.331 . . . . 0.0 111.765 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 5' ' ' LEU . . . . . 0.656 HD11 HD11 ' S' ' 5' ' ' LEU . 87.8 mt -126.49 119.08 26.29 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.199 178.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -122.47 113.11 18.88 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 mm . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.365 -179.082 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 89.3 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -111.75 123.4 50.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 120.016 -0.674 . . . . 0.0 109.228 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.447 HG22 HG12 ' I' ' 3' ' ' VAL . 1.9 m -116.22 125.37 73.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 176.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -118.77 129.4 55.23 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 5' ' ' LEU . . . . . 0.422 HD13 ' CD2' ' I' ' 5' ' ' LEU . 5.0 mp -133.09 121.72 23.07 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.812 0.339 . . . . 0.0 110.32 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -120.21 114.5 22.01 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 26.4 mm . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.546 -179.022 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -113.97 122.23 46.32 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.447 HG12 HG22 ' G' ' 3' ' ' VAL . 32.8 m -119.18 121.49 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 C-N-CA 120.269 -0.572 . . . . 0.0 109.904 176.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.51 130.26 55.11 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 120.82 0.343 . . . . 0.0 111.896 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 5' ' ' LEU . . . . . 0.632 HD11 HD11 ' W' ' 5' ' ' LEU . 86.1 mt -125.8 120.16 29.83 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -122.92 112.53 17.95 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 19.3 mm . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.305 -179.016 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.08 124.22 51.1 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.422 ' O ' HG23 ' K' ' 3' ' ' VAL . 2.4 m -115.62 125.24 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 177.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -119.11 129.67 55.17 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.234 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.86 122.57 23.39 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -121.15 112.55 18.81 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 mm . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.555 -178.789 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 121.247 0.546 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.98 122.13 46.0 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 3' ' ' VAL . . . . . 0.466 HG23 ' O ' ' O' ' 3' ' ' VAL . 28.3 m -119.06 122.33 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.89 130.88 55.97 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 120.824 0.345 . . . . 0.0 111.801 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 5' ' ' LEU . . . . . 0.602 HD11 HD11 ' A' ' 5' ' ' LEU . 87.6 mt -127.15 116.85 21.29 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 178.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -120.17 112.22 18.82 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 22.0 mm . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.372 -178.884 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 93.7 mt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -112.57 123.06 49.45 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 3' ' ' VAL . . . . . 0.509 HG22 HG12 ' S' ' 3' ' ' VAL . 2.0 m -116.54 125.34 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -118.79 129.5 55.27 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 5' ' ' LEU . . . . . 0.417 HD13 ' CD2' ' S' ' 5' ' ' LEU . 4.9 mp -133.07 122.18 23.76 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.07 0.462 . . . . 0.0 110.462 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -120.81 115.39 23.19 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 25.3 mm . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.503 -178.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -114.45 122.43 46.58 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 3' ' ' VAL . . . . . 0.509 HG12 HG22 ' Q' ' 3' ' ' VAL . 33.9 m -119.21 121.88 67.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 C-N-CA 120.443 -0.503 . . . . 0.0 109.983 176.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.29 130.25 55.3 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 5' ' ' LEU . . . . . 0.656 HD11 HD11 ' E' ' 5' ' ' LEU . 87.5 mt -126.49 118.77 25.6 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -122.07 113.06 19.01 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 19.8 mm . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.357 -179.125 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 88.9 mt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -111.59 123.45 50.24 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 120.011 -0.675 . . . . 0.0 109.363 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' U' U ' 3' ' ' VAL . . . . . 0.458 HG22 HG12 ' W' ' 3' ' ' VAL . 2.0 m -116.2 125.27 73.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 176.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -118.74 129.45 55.26 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 mp -132.88 122.07 23.84 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.939 0.4 . . . . 0.0 110.428 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -120.62 114.2 21.36 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 26.2 mm . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.504 -178.902 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -113.88 122.54 47.33 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 3' ' ' VAL . . . . . 0.458 HG12 HG22 ' U' ' 3' ' ' VAL . 32.6 m -118.95 121.32 66.56 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.031 176.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.21 130.15 55.34 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 120.72 0.295 . . . . 0.0 111.744 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 5' ' ' LEU . . . . . 0.632 HD11 HD11 ' I' ' 5' ' ' LEU . 86.1 mt -125.92 120.11 29.54 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -122.78 112.6 18.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.397 -179.04 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 85.4 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -109.61 124.22 50.78 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Y' Y ' 3' ' ' VAL . . . . . 0.441 HG23 ' O ' ' Y' ' 3' ' ' VAL . 2.5 m -115.47 125.23 72.62 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -119.09 129.73 55.22 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.275 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -134.02 122.59 23.23 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -121.24 112.85 19.13 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.434 -178.87 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 84.5 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.95 122.34 46.66 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.617 HG11 HD21 ' O' ' 5' ' ' LEU . 61.2 t -118.81 123.02 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.473 ' C ' HD12 ' A' ' 5' ' ' LEU . 3.0 t60 -117.94 130.95 56.53 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 120.895 0.379 . . . . 0.0 111.107 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.601 HD21 HG11 ' O' ' 3' ' ' VAL . 9.3 mp -112.35 110.13 20.17 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.607 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -126.68 108.33 10.99 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.3 pt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.88 -178.62 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 1' ' ' ILE . . . . . 0.446 ' CD1' HD12 ' Q' ' 7' ' ' ILE . 84.5 mt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -111.5 123.44 50.22 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.529 HG11 HD21 ' Q' ' 5' ' ' LEU . 61.2 t -116.23 125.72 73.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 4' ' ' HIS . . . . . 0.493 ' C ' HD12 ' C' ' 5' ' ' LEU . 26.8 m170 -118.21 130.03 55.84 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.458 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 5' ' ' LEU . . . . . 0.57 HD21 HG11 ' Q' ' 3' ' ' VAL . 10.1 mp -114.11 120.81 41.81 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -139.09 110.11 6.81 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.593 HD11 HD13 ' S' ' 1' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.473 0.692 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.404 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 1' ' ' ILE . . . . . 0.592 HD13 HD11 ' Q' ' 7' ' ' ILE . 85.2 mt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.8 122.49 47.21 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.604 HG11 HD21 ' S' ' 5' ' ' LEU . 58.0 t -119.16 122.84 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 176.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 4' ' ' HIS . . . . . 0.467 ' C ' HD12 ' E' ' 5' ' ' LEU . 3.3 t60 -117.8 131.05 56.62 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.313 178.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 5' ' ' LEU . . . . . 0.578 HD21 HG11 ' S' ' 3' ' ' VAL . 9.3 mp -112.01 111.52 22.49 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.365 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -128.88 108.11 10.17 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 40.5 pt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.754 -178.493 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' G' G ' 1' ' ' ILE . . . . . 0.423 HG21 HD11 ' S' ' 7' ' ' ILE . 89.2 mt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -110.93 123.76 50.79 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.48 HG11 HD21 ' U' ' 5' ' ' LEU . 62.0 t -116.0 125.77 73.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 4' ' ' HIS . . . . . 0.489 ' C ' HD12 ' G' ' 5' ' ' LEU . 27.7 m170 -118.17 130.06 55.88 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.5 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 5' ' ' LEU . . . . . 0.498 HD21 HG11 ' U' ' 3' ' ' VAL . 10.3 mp -113.53 120.84 42.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.725 0.297 . . . . 0.0 110.274 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -139.53 109.35 6.33 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.673 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 7' ' ' ILE . . . . . 0.593 HD11 HD13 ' W' ' 1' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.618 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.549 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 1' ' ' ILE . . . . . 0.601 HD13 HD11 ' U' ' 7' ' ' ILE . 84.9 mt . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -113.67 122.8 48.27 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 120.499 -0.48 . . . . 0.0 109.8 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.521 HG11 HD21 ' W' ' 5' ' ' LEU . 61.8 t -119.11 122.95 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 176.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 4' ' ' HIS . . . . . 0.478 ' C ' HD12 ' I' ' 5' ' ' LEU . 3.4 t60 -118.0 131.13 56.51 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.299 178.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 5' ' ' LEU . . . . . 0.539 HD21 HG11 ' W' ' 3' ' ' VAL . 9.5 mp -111.89 111.14 21.88 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.593 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -129.02 107.33 9.52 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 7' ' ' ILE . . . . . 0.421 HD11 HG21 ' Y' ' 1' ' ' ILE . 36.5 pt . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.574 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 1' ' ' ILE . . . . . 0.445 HG21 HD11 ' W' ' 7' ' ' ILE . 93.6 mt . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -109.85 124.12 50.76 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -115.45 125.67 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 4' ' ' HIS . . . . . 0.495 ' C ' HD12 ' K' ' 5' ' ' LEU . 28.8 m170 -117.97 130.05 55.97 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.604 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' K' K ' 5' ' ' LEU . . . . . 0.495 HD12 ' C ' ' K' ' 4' ' ' HIS . 10.3 mp -112.19 122.21 47.11 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.817 0.341 . . . . 0.0 110.459 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -142.48 109.36 5.47 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 pt . . . . . 0 C--O 1.219 -0.551 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.39 -179.031 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -113.83 122.4 46.94 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' O' O ' 3' ' ' VAL . . . . . 0.601 HG11 HD21 ' A' ' 5' ' ' LEU . 60.3 t -118.82 122.98 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' O' O ' 4' ' ' HIS . . . . . 0.458 ' C ' HD12 ' O' ' 5' ' ' LEU . 2.9 t60 -117.81 130.95 56.59 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 120.878 0.37 . . . . 0.0 111.172 178.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' O' O ' 5' ' ' LEU . . . . . 0.617 HD21 HG11 ' A' ' 3' ' ' VAL . 9.2 mp -112.58 108.58 17.72 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.807 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -124.94 108.41 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 50.7 pt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.882 -178.636 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' Q' Q ' 1' ' ' ILE . . . . . 0.453 ' CD1' HD12 ' C' ' 7' ' ' ILE . 87.1 mt . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -111.35 123.4 50.14 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 3' ' ' VAL . . . . . 0.57 HG11 HD21 ' C' ' 5' ' ' LEU . 58.0 t -116.15 125.64 73.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 4' ' ' HIS . . . . . 0.492 ' C ' HD12 ' Q' ' 5' ' ' LEU . 27.0 m170 -118.26 130.15 55.88 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.399 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 5' ' ' LEU . . . . . 0.529 HD21 HG11 ' C' ' 3' ' ' VAL . 10.0 mp -113.99 120.9 42.23 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -139.01 109.8 6.69 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.034 0.445 . . . . 0.0 109.842 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Q' Q ' 7' ' ' ILE . . . . . 0.592 HD11 HD13 ' E' ' 1' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 117.915 -1.04 . . . . 0.0 110.436 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 1' ' ' ILE . . . . . 0.593 HD13 HD11 ' C' ' 7' ' ' ILE . 87.1 mt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -113.58 122.5 47.43 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 3' ' ' VAL . . . . . 0.578 HG11 HD21 ' E' ' 5' ' ' LEU . 57.6 t -119.06 122.75 70.05 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 4' ' ' HIS . . . . . 0.461 ' C ' HD12 ' S' ' 5' ' ' LEU . 3.2 t60 -117.95 131.12 56.54 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.36 178.316 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 5' ' ' LEU . . . . . 0.604 HD21 HG11 ' E' ' 3' ' ' VAL . 9.2 mp -111.75 112.22 23.74 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.205 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -129.08 107.51 9.64 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 7' ' ' ILE . . . . . 0.423 HD11 HG21 ' G' ' 1' ' ' ILE . 38.9 pt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.949 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' U' U ' 1' ' ' ILE . . . . . 0.405 HD12 HD12 ' G' ' 7' ' ' ILE . 89.5 mt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -110.74 123.79 50.73 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' U' U ' 3' ' ' VAL . . . . . 0.498 HG11 HD21 ' G' ' 5' ' ' LEU . 61.4 t -116.14 125.73 73.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' U' U ' 4' ' ' HIS . . . . . 0.498 ' C ' HD12 ' U' ' 5' ' ' LEU . 27.5 m170 -118.07 130.22 56.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.562 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' U' U ' 5' ' ' LEU . . . . . 0.498 HD12 ' C ' ' U' ' 4' ' ' HIS . 10.2 mp -113.54 121.46 44.3 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.728 0.299 . . . . 0.0 110.398 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -140.1 110.3 6.56 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.874 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' U' U ' 7' ' ' ILE . . . . . 0.601 HD11 HD13 ' I' ' 1' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.475 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 1' ' ' ILE . . . . . 0.593 HD13 HD11 ' G' ' 7' ' ' ILE . 83.9 mt . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -113.57 122.71 48.04 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.945 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 3' ' ' VAL . . . . . 0.539 HG11 HD21 ' I' ' 5' ' ' LEU . 62.7 t -118.91 123.05 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 4' ' ' HIS . . . . . 0.481 ' C ' HD12 ' W' ' 5' ' ' LEU . 3.1 t60 -117.95 130.84 56.45 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.308 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 5' ' ' LEU . . . . . 0.521 HD21 HG11 ' I' ' 3' ' ' VAL . 9.6 mp -111.74 111.61 22.71 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.762 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -129.59 107.81 9.74 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 7' ' ' ILE . . . . . 0.445 HD11 HG21 ' K' ' 1' ' ' ILE . 39.1 pt . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.754 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Y' Y ' 1' ' ' ILE . . . . . 0.421 HG21 HD11 ' I' ' 7' ' ' ILE . 92.4 mt . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -109.74 124.07 50.62 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -115.61 125.81 72.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Y' Y ' 4' ' ' HIS . . . . . 0.495 ' C ' HD12 ' Y' ' 5' ' ' LEU . 27.8 m170 -118.01 130.39 56.15 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.507 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Y' Y ' 5' ' ' LEU . . . . . 0.495 HD12 ' C ' ' Y' ' 4' ' ' HIS . 10.4 mp -112.4 122.23 47.11 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.746 0.308 . . . . 0.0 110.318 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -142.51 109.91 5.69 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 pt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.337 -179.038 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.457 HD12 ' CG2' ' O' ' 7' ' ' ILE . 97.2 mt . . . . . 0 N--CA 1.494 1.727 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -113.02 122.77 48.6 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.413 HG11 ' CD1' ' O' ' 5' ' ' LEU . 61.0 t -118.64 122.83 70.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.458 178.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.26 131.49 56.35 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 120.546 0.212 . . . . 0.0 111.529 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.433 HD11 HD11 ' O' ' 5' ' ' LEU . 24.7 mt -129.94 127.52 40.25 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.845 0.355 . . . . 0.0 110.777 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -130.41 106.58 8.64 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.48 -0.934 . . . . 0.0 108.48 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.436 ' CG2' HD12 ' O' ' 1' ' ' ILE . 54.7 mt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.817 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -111.15 122.91 49.08 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.555 HG12 HD11 ' C' ' 5' ' ' LEU . 18.3 t -116.53 125.75 73.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -118.27 129.1 55.27 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 5' ' ' LEU . . . . . 0.555 HD11 HG12 ' C' ' 3' ' ' VAL . 2.7 mp -132.74 121.21 22.72 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.098 0.475 . . . . 0.0 111.99 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -122.19 106.99 11.64 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.185 177.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.754 HD13 ' H ' ' C' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.559 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 1' ' ' ILE . . . . . 0.476 HD12 ' CG2' ' S' ' 7' ' ' ILE . 96.3 mt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -112.47 122.96 49.19 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -118.9 122.43 69.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.466 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.54 131.13 56.23 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 120.594 0.235 . . . . 0.0 111.609 178.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 19.5 mt -129.97 125.48 35.49 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.611 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -129.29 104.92 7.79 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 7' ' ' ILE . . . . . 0.47 ' CG2' HD12 ' S' ' 1' ' ' ILE . 51.2 mt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.892 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 77.9 mt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -110.21 122.79 48.48 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.531 HG12 HD11 ' G' ' 5' ' ' LEU . 19.1 t -116.33 125.69 73.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -117.94 128.89 55.24 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 5' ' ' LEU . . . . . 0.531 HD11 HG12 ' G' ' 3' ' ' VAL . 2.8 mp -132.23 121.18 23.24 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.176 0.512 . . . . 0.0 111.931 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -122.48 105.69 10.37 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.388 177.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 7' ' ' ILE . . . . . 0.743 ' H ' HD13 ' G' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.694 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 1' ' ' ILE . . . . . 0.406 HD12 ' CG2' ' W' ' 7' ' ' ILE . 96.6 mt . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -111.1 122.85 48.94 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 59.4 t -118.53 122.15 68.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.364 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 4' ' ' HIS . . . . . 0.416 ' O ' HD12 ' G' ' 5' ' ' LEU . 3.5 t60 -118.43 131.14 56.28 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 178.179 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 5' ' ' LEU . . . . . 0.433 HD11 HD11 ' W' ' 5' ' ' LEU . 18.9 mt -130.92 123.28 28.57 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.664 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -127.24 104.22 7.83 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 7' ' ' ILE . . . . . 0.451 HG12 HD11 ' G' ' 7' ' ' ILE . 48.1 mt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.988 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 84.1 mt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -107.26 123.49 48.39 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.466 HG12 HD11 ' K' ' 5' ' ' LEU . 21.8 t -116.18 125.79 73.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -117.83 129.34 55.6 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' K' K ' 5' ' ' LEU . . . . . 0.466 HD11 HG12 ' K' ' 3' ' ' VAL . 2.7 mp -131.75 126.29 34.09 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.757 0.313 . . . . 0.0 111.295 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -127.82 104.58 7.91 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' K' K ' 7' ' ' ILE . . . . . 0.7 HD13 ' H ' ' K' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 118.11 -0.948 . . . . 0.0 110.522 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' O' O ' 1' ' ' ILE . . . . . 0.436 HD12 ' CG2' ' A' ' 7' ' ' ILE . 97.4 mt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -113.08 122.83 48.75 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' O' O ' 3' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 5' ' ' LEU . 61.6 t -118.62 122.75 70.22 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.45 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.28 131.58 56.34 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 120.608 0.242 . . . . 0.0 111.542 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' O' O ' 5' ' ' LEU . . . . . 0.433 HD11 HD11 ' A' ' 5' ' ' LEU . 26.9 mt -129.94 128.45 42.15 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.88 0.372 . . . . 0.0 110.78 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -131.57 106.63 8.31 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' O' O ' 7' ' ' ILE . . . . . 0.457 ' CG2' HD12 ' A' ' 1' ' ' ILE . 55.0 mt . . . . . 0 C--O 1.218 -0.578 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.89 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 81.2 mt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -111.44 122.85 48.93 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 3' ' ' VAL . . . . . 0.569 HG12 HD11 ' Q' ' 5' ' ' LEU . 18.3 t -116.76 125.57 73.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -118.35 129.1 55.24 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 5' ' ' LEU . . . . . 0.569 HD11 HG12 ' Q' ' 3' ' ' VAL . 2.6 mp -132.81 119.96 20.95 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 121.112 0.482 . . . . 0.0 112.068 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -120.7 106.93 12.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.103 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Q' Q ' 7' ' ' ILE . . . . . 0.75 ' H ' HD13 ' Q' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.538 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 1' ' ' ILE . . . . . 0.47 HD12 ' CG2' ' E' ' 7' ' ' ILE . 96.4 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -112.96 122.9 49.03 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 60.7 t -118.53 122.4 69.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.644 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -118.52 131.16 56.24 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 120.676 0.274 . . . . 0.0 111.404 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 19.8 mt -129.68 126.39 38.2 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.587 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -130.12 104.93 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 177.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 7' ' ' ILE . . . . . 0.476 ' CG2' HD12 ' E' ' 1' ' ' ILE . 47.1 mt . . . . . 0 N--CA 1.469 0.517 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.835 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 78.2 mt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -110.39 123.11 49.25 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' U' U ' 3' ' ' VAL . . . . . 0.533 HG12 HD11 ' U' ' 5' ' ' LEU . 19.9 t -116.71 125.74 73.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -117.96 128.81 55.15 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' U' U ' 5' ' ' LEU . . . . . 0.533 HD11 HG12 ' U' ' 3' ' ' VAL . 2.7 mp -132.11 121.34 23.63 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 121.095 0.474 . . . . 0.0 111.734 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -122.6 105.45 10.11 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.259 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' U' U ' 7' ' ' ILE . . . . . 0.736 HD13 ' H ' ' U' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.678 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 1' ' ' ILE . . . . . 0.436 HD12 ' CG2' ' I' ' 7' ' ' ILE . 96.4 mt . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -111.01 123.18 49.68 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -118.57 122.41 69.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.39 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 4' ' ' HIS . . . . . 0.414 ' O ' HD12 ' U' ' 5' ' ' LEU . 3.2 t60 -118.3 130.92 56.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 120.537 0.208 . . . . 0.0 111.314 178.058 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 5' ' ' LEU . . . . . 0.433 HD11 HD11 ' I' ' 5' ' ' LEU . 18.5 mt -130.68 122.74 27.89 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.603 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -126.97 103.98 7.76 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 7' ' ' ILE . . . . . 0.5 HG12 HD11 ' U' ' 7' ' ' ILE . 51.7 mt . . . . . 0 N--CA 1.469 0.521 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.129 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -107.22 123.44 48.29 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Y' Y ' 3' ' ' VAL . . . . . 0.471 HG12 HD11 ' Y' ' 5' ' ' LEU . 21.9 t -116.18 125.8 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -117.69 129.47 55.74 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Y' Y ' 5' ' ' LEU . . . . . 0.471 HD11 HG12 ' Y' ' 3' ' ' VAL . 2.7 mp -131.79 127.43 36.67 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.805 0.336 . . . . 0.0 111.09 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -128.96 104.57 7.67 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Y' Y ' 7' ' ' ILE . . . . . 0.699 HD13 ' H ' ' Y' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.458 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.634 HD13 ' N ' ' A' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.322 0.582 . . . . 0.0 109.524 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.634 ' N ' HD13 ' A' ' 1' ' ' ILE . 5.3 t-160 -114.33 122.16 45.83 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.355 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.552 HG11 HD13 ' O' ' 5' ' ' LEU . 56.2 t -118.11 121.66 67.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.66 131.42 56.17 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 120.68 0.276 . . . . 0.0 111.182 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.638 HD11 HD11 ' O' ' 5' ' ' LEU . 64.7 mt -119.52 114.84 22.89 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -124.99 108.58 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 7' ' ' ILE . 3.4 mt . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 117.895 -1.05 . . . . 0.0 110.337 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 1' ' ' ILE . . . . . 0.424 HG12 HG22 ' A' ' 1' ' ' ILE . 91.0 mt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -112.15 123.67 50.76 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 120.189 -0.604 . . . . 0.0 109.438 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 65.5 t -116.22 124.84 72.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -119.16 129.67 55.13 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 50.6 tp -122.3 123.44 41.42 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.793 0.33 . . . . 0.0 110.534 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -135.0 113.63 11.67 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.429 HG13 HG23 ' E' ' 7' ' ' ILE . 41.7 pt . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.489 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 1' ' ' ILE . . . . . 0.716 HD13 ' N ' ' E' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 2' ' ' HIS . . . . . 0.716 ' N ' HD13 ' E' ' 1' ' ' ILE . 6.4 t-160 -114.54 122.82 47.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.601 HG11 HD13 ' S' ' 5' ' ' LEU . 61.6 t -118.16 121.51 67.4 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 177.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -118.97 130.83 55.9 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.045 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 5' ' ' LEU . . . . . 0.61 HD11 HD11 ' S' ' 5' ' ' LEU . 55.4 mt -119.18 115.51 24.37 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.33 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -126.63 108.68 11.33 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 7' ' ' ILE . . . . . 0.459 HD13 HG21 ' S' ' 1' ' ' ILE . 4.5 mt . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.24 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 1' ' ' ILE . . . . . 0.493 HG23 ' CG2' ' E' ' 1' ' ' ILE . 92.1 mt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -111.47 123.65 50.66 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.733 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 66.0 t -116.22 124.69 72.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -119.02 129.51 55.17 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 55.1 tp -122.02 121.9 38.08 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 120.945 0.403 . . . . 0.0 110.473 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -133.71 112.5 11.44 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.467 178.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 46.2 pt . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.577 -179.565 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' I' I ' 1' ' ' ILE . . . . . 0.717 HD13 ' N ' ' I' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 2' ' ' HIS . . . . . 0.717 ' N ' HD13 ' I' ' 1' ' ' ILE . 7.1 t-160 -114.1 122.96 48.45 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.52 178.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.537 HG11 HD13 ' W' ' 5' ' ' LEU . 58.5 t -118.02 121.44 67.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.89 130.32 55.67 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.23 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 5' ' ' LEU . . . . . 0.576 HD11 HD11 ' W' ' 5' ' ' LEU . 50.4 mt -118.47 114.81 23.43 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.641 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -125.9 107.94 10.96 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 7' ' ' ILE . . . . . 0.401 HD13 HG21 ' W' ' 1' ' ' ILE . 5.5 mt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.24 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 1' ' ' ILE . . . . . 0.419 HG23 ' CG2' ' I' ' 1' ' ' ILE . 93.5 mt . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -108.52 123.87 49.56 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.472 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 66.0 t -115.77 124.93 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -118.88 129.52 55.24 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 tp -121.96 121.84 37.99 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 120.789 0.328 . . . . 0.0 110.359 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -135.11 111.38 9.68 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 pt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.458 -179.223 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' O' O ' 1' ' ' ILE . . . . . 0.628 HD13 ' N ' ' O' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.389 0.614 . . . . 0.0 109.599 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' O' O ' 2' ' ' HIS . . . . . 0.628 ' N ' HD13 ' O' ' 1' ' ' ILE . 5.3 t-160 -114.15 122.25 46.24 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' O' O ' 3' ' ' VAL . . . . . 0.587 HG11 HD13 ' A' ' 5' ' ' LEU . 56.2 t -118.17 121.94 68.42 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.77 131.53 56.12 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.624 0.249 . . . . 0.0 111.212 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' O' O ' 5' ' ' LEU . . . . . 0.638 HD11 HD11 ' A' ' 5' ' ' LEU . 64.1 mt -119.61 115.43 23.97 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -125.81 107.96 11.01 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' O' O ' 7' ' ' ILE . . . . . 0.413 HD13 HG21 ' O' ' 7' ' ' ILE . 3.2 mt . . . . . 0 N--CA 1.47 0.548 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.237 -178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 1' ' ' ILE . . . . . 0.419 HG23 ' CG2' ' O' ' 1' ' ' ILE . 91.2 mt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -112.11 123.96 51.39 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.504 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 70.6 t -116.15 124.95 72.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -119.2 129.47 54.99 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 tp -122.06 123.16 40.95 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 120.725 0.298 . . . . 0.0 110.52 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -134.8 113.19 11.36 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Q' Q ' 7' ' ' ILE . . . . . 0.474 HG13 HG23 ' S' ' 7' ' ' ILE . 43.4 pt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.417 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 1' ' ' ILE . . . . . 0.688 HD13 ' N ' ' S' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 2' ' ' HIS . . . . . 0.688 ' N ' HD13 ' S' ' 1' ' ' ILE . 6.5 t-160 -114.16 122.9 48.23 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 3' ' ' VAL . . . . . 0.545 HG11 HD13 ' E' ' 5' ' ' LEU . 60.6 t -118.25 121.52 67.38 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -119.05 130.7 55.76 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.16 177.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 5' ' ' LEU . . . . . 0.61 HD11 HD11 ' E' ' 5' ' ' LEU . 55.2 mt -118.95 116.05 25.64 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.358 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -127.28 108.06 10.54 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 7' ' ' ILE . . . . . 0.474 HG23 HG13 ' Q' ' 7' ' ' ILE . 4.1 mt . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.235 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' U' U ' 1' ' ' ILE . . . . . 0.493 HG23 ' CG2' ' S' ' 1' ' ' ILE . 93.0 mt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -110.93 123.69 50.64 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 120.211 -0.596 . . . . 0.0 109.82 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 67.0 t -116.18 124.59 72.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -118.84 129.29 55.14 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 55.2 tp -121.85 121.64 37.62 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.877 0.37 . . . . 0.0 110.691 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -133.43 112.49 11.62 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.622 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' U' U ' 7' ' ' ILE . . . . . 0.431 HG13 HG23 ' W' ' 7' ' ' ILE . 46.5 pt . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.674 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 1' ' ' ILE . . . . . 0.71 HD13 ' N ' ' W' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 2' ' ' HIS . . . . . 0.71 ' N ' HD13 ' W' ' 1' ' ' ILE . 8.5 t-160 -113.78 123.09 49.0 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 3' ' ' VAL . . . . . 0.54 HG11 HD13 ' I' ' 5' ' ' LEU . 57.4 t -118.0 121.43 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -118.66 130.21 55.73 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.079 177.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 5' ' ' LEU . . . . . 0.576 HD11 HD11 ' I' ' 5' ' ' LEU . 50.4 mt -118.7 113.78 21.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -125.23 107.92 11.22 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 7' ' ' ILE . . . . . 0.431 HG23 HG13 ' U' ' 7' ' ' ILE . 4.0 mt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.287 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 89.9 mt . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -108.29 123.88 49.48 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.545 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 70.1 t -115.83 124.84 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -118.9 129.66 55.31 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 tp -121.94 120.96 35.97 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 120.75 0.31 . . . . 0.0 110.522 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -134.28 111.17 10.01 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 47.5 pt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.536 -179.179 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.409 HD12 HG21 ' O' ' 7' ' ' ILE . 86.9 mt . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 121.577 0.703 . . . . 0.0 109.886 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -113.97 122.98 48.6 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.339 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.5 t -117.73 121.9 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.78 131.81 56.12 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.665 ' C ' HD13 ' A' ' 5' ' ' LEU . 1.9 tm? -126.53 121.69 33.01 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.462 ' N ' HD22 ' A' ' 5' ' ' LEU . 51.6 tt0 -135.81 119.08 16.67 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.426 HG21 HD13 ' A' ' 7' ' ' ILE . 14.2 mt . . . . . 0 N--CA 1.469 0.513 0 CA-C-O 117.719 -1.134 . . . . 0.0 109.618 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -111.75 124.16 51.75 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.474 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 84.0 t -115.7 125.13 72.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -118.41 129.03 55.18 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 5' ' ' LEU . . . . . 0.596 HD11 HD11 ' Q' ' 5' ' ' LEU . 13.5 mt -126.52 118.28 24.58 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.483 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -131.01 111.06 11.69 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.891 -1.052 . . . . 0.0 109.848 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.121 0.486 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -113.69 122.67 47.84 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.232 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 82.7 t -117.67 121.08 66.62 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -118.97 130.95 55.97 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 5' ' ' LEU . . . . . 0.653 HD13 ' C ' ' E' ' 5' ' ' LEU . 2.0 tm? -124.45 119.85 30.36 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.64 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 6' ' ' GLN . . . . . 0.452 ' N ' HD22 ' E' ' 5' ' ' LEU . 51.5 tt0 -133.08 119.49 20.06 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 7' ' ' ILE . . . . . 0.476 HD12 HG21 ' U' ' 1' ' ' ILE . 7.5 mt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.765 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -110.84 124.11 51.41 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 94.2 t -115.8 125.11 72.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -117.88 128.83 55.21 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 5' ' ' LEU . . . . . 0.583 HD11 HD11 ' U' ' 5' ' ' LEU . 17.2 mt -125.47 119.4 28.13 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.593 -178.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -132.08 111.68 11.69 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.93 -1.034 . . . . 0.0 110.159 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -113.51 122.79 48.33 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 97.5 t -117.42 120.74 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.851 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -119.04 130.53 55.68 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 5' ' ' LEU . . . . . 0.667 ' C ' HD13 ' I' ' 5' ' ' LEU . 1.9 tm? -123.37 118.44 27.49 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.78 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 6' ' ' GLN . . . . . 0.424 ' N ' HD22 ' I' ' 5' ' ' LEU . 51.4 tt0 -131.06 120.03 22.84 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 7' ' ' ILE . . . . . 0.428 HD12 HG21 ' Y' ' 1' ' ' ILE . 9.1 mt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.759 -1.115 . . . . 0.0 109.837 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 1' ' ' ILE . . . . . 0.518 HG21 HD12 ' W' ' 7' ' ' ILE . 96.5 mt . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -107.71 124.14 49.57 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 84.5 t -115.84 125.95 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -117.38 129.1 55.64 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 5' ' ' LEU . . . . . 0.442 HD11 HD11 ' Y' ' 5' ' ' LEU . 35.3 mt -123.38 121.9 36.94 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 -178.116 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -135.62 110.11 8.53 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.415 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' O' O ' 1' ' ' ILE . . . . . 0.425 HD12 HG21 ' A' ' 7' ' ' ILE . 89.8 mt . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 121.435 0.636 . . . . 0.0 109.771 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.86 122.98 48.67 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.365 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 70.3 t -117.72 121.69 68.04 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.668 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 177.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.85 131.76 56.09 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' O' O ' 5' ' ' LEU . . . . . 0.674 HD13 ' C ' ' O' ' 5' ' ' LEU . 1.9 tm? -126.17 121.91 34.14 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' O' O ' 6' ' ' GLN . . . . . 0.457 ' N ' HD22 ' O' ' 5' ' ' LEU . 51.8 tt0 -136.0 119.42 16.87 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' O' O ' 7' ' ' ILE . . . . . 0.43 HD13 HG21 ' O' ' 7' ' ' ILE . 14.2 mt . . . . . 0 N--CA 1.47 0.529 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.57 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 95.8 mt . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -111.37 124.3 51.97 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.449 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -115.82 125.27 72.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -118.35 128.95 55.14 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 5' ' ' LEU . . . . . 0.596 HD11 HD11 ' C' ' 5' ' ' LEU . 13.1 mt -126.29 118.5 25.23 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.413 -178.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -131.05 110.3 11.11 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.913 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 88.5 mt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -113.56 122.87 48.53 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 81.7 t -117.77 121.02 66.43 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -119.08 130.94 55.86 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 5' ' ' LEU . . . . . 0.67 ' C ' HD13 ' S' ' 5' ' ' LEU . 1.9 tm? -124.11 119.74 30.33 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.622 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 6' ' ' GLN . . . . . 0.453 ' N ' HD22 ' S' ' 5' ' ' LEU . 51.7 tt0 -133.12 119.46 19.97 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 7' ' ' ILE . . . . . 0.407 HD13 HG21 ' S' ' 7' ' ' ILE . 10.2 mt . . . . . 0 C--O 1.218 -0.571 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.671 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' U' U ' 1' ' ' ILE . . . . . 0.476 HG21 HD12 ' E' ' 7' ' ' ILE . 95.9 mt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -110.91 124.18 51.59 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 90.4 t -115.83 125.38 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -117.88 128.86 55.23 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' U' U ' 5' ' ' LEU . . . . . 0.583 HD11 HD11 ' G' ' 5' ' ' LEU . 16.5 mt -125.46 119.05 27.17 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.353 -178.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -131.72 110.41 10.86 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.912 -1.042 . . . . 0.0 110.189 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -113.4 122.88 48.69 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 80.4 t -117.72 120.86 65.99 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.731 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -118.84 130.63 55.86 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 5' ' ' LEU . . . . . 0.667 ' C ' HD13 ' W' ' 5' ' ' LEU . 1.9 tm? -123.49 118.81 28.24 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 6' ' ' GLN . . . . . 0.436 ' N ' HD22 ' W' ' 5' ' ' LEU . 51.6 tt0 -131.91 119.16 20.76 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 7' ' ' ILE . . . . . 0.518 HD12 HG21 ' K' ' 1' ' ' ILE . 9.9 mt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.752 -1.118 . . . . 0.0 109.773 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Y' Y ' 1' ' ' ILE . . . . . 0.428 HG21 HD12 ' I' ' 7' ' ' ILE . 96.5 mt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -107.76 123.91 49.25 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 87.1 t -115.81 126.08 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -117.16 129.29 55.86 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Y' Y ' 5' ' ' LEU . . . . . 0.442 HD11 HD11 ' K' ' 5' ' ' LEU . 34.5 mt -123.52 121.52 35.87 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -135.42 109.2 8.06 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.326 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 96.0 mt . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -114.34 122.49 46.86 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.606 HG11 HD13 ' O' ' 5' ' ' LEU . 45.7 t -118.29 122.12 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.196 178.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.51 131.52 55.58 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.873 HD11 HD11 ' O' ' 5' ' ' LEU . 75.2 mt -121.92 112.46 18.33 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -123.12 105.5 9.98 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 mm . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.542 -179.47 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 121.355 0.598 . . . . 0.0 109.88 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -110.42 123.39 49.79 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.33 125.07 72.46 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -118.73 129.19 55.13 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 5' ' ' LEU . . . . . 0.573 HD11 HD11 ' C' ' 7' ' ' ILE . 53.0 tp -123.32 123.7 41.31 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 121.246 -0.182 . . . . 0.0 110.857 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -132.81 105.57 7.22 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.573 HD11 HD11 ' C' ' 5' ' ' LEU . 46.6 mm . . . . . 0 C--O 1.218 -0.585 0 CA-C-O 117.62 -1.181 . . . . 0.0 110.545 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -113.36 122.63 47.95 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.553 HG11 HD13 ' S' ' 5' ' ' LEU . 49.2 t -118.56 121.19 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.904 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -119.37 130.75 55.49 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.673 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 5' ' ' LEU . . . . . 0.914 HD11 HD11 ' S' ' 5' ' ' LEU . 64.2 mt -121.11 111.55 17.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.35 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -121.68 108.14 13.19 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 8.6 mm . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.578 -179.473 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' G' G ' 1' ' ' ILE . . . . . 0.44 HD13 HD12 ' U' ' 7' ' ' ILE . 1.6 tt . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 121.161 0.505 . . . . 0.0 109.89 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -110.26 123.99 50.81 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 176.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -115.68 124.79 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -118.49 129.4 55.35 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 5' ' ' LEU . . . . . 0.605 HD11 HD11 ' G' ' 7' ' ' ILE . 52.9 tp -124.06 123.12 39.65 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.447 0.165 . . . . 0.0 111.173 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -132.1 104.7 6.94 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 7' ' ' ILE . . . . . 0.605 HD11 HD11 ' G' ' 5' ' ' LEU . 45.4 mm . . . . . 0 C--O 1.218 -0.587 0 CA-C-O 117.676 -1.154 . . . . 0.0 110.66 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -113.34 123.1 49.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.579 HG11 HD13 ' W' ' 5' ' ' LEU . 60.5 t -118.72 121.22 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.135 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.39 130.21 55.2 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.654 -0.419 . . . . 0.0 112.057 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 5' ' ' LEU . . . . . 0.989 HD11 HD11 ' W' ' 5' ' ' LEU . 55.9 mt -120.29 110.52 16.66 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.4 0.438 . . . . 0.0 110.48 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -120.81 106.84 12.05 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 8.5 mm . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.661 -179.27 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' K' K ' 1' ' ' ILE . . . . . 0.517 HD13 HD12 ' Y' ' 7' ' ' ILE . 1.9 tt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -108.75 124.61 50.85 Favored 'General case' 0 N--CA 1.462 0.126 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 56.0 t -115.22 125.41 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.26 129.67 55.61 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' K' K ' 5' ' ' LEU . . . . . 0.618 HD11 HD11 ' K' ' 7' ' ' ILE . 46.9 tp -124.82 122.41 37.34 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.507 0.194 . . . . 0.0 110.769 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -132.72 104.9 6.86 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' K' K ' 7' ' ' ILE . . . . . 0.618 HD11 HD11 ' K' ' 5' ' ' LEU . 43.6 mm . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 117.761 -1.114 . . . . 0.0 110.625 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -114.17 123.17 48.94 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' O' O ' 3' ' ' VAL . . . . . 0.63 HG11 HD13 ' A' ' 5' ' ' LEU . 46.7 t -118.9 121.89 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.137 177.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -119.11 131.7 55.93 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' O' O ' 5' ' ' LEU . . . . . 0.873 HD11 HD11 ' A' ' 5' ' ' LEU . 78.6 mt -121.6 112.01 17.93 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -122.74 105.58 10.18 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 mm . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.531 -179.703 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 121.189 0.518 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -110.19 123.94 50.68 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -115.52 124.73 72.3 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.63 129.27 55.22 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 5' ' ' LEU . . . . . 0.591 HD11 HD11 ' Q' ' 7' ' ' ILE . 51.5 tp -123.58 123.09 39.82 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.468 0.175 . . . . 0.0 110.768 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -132.14 105.54 7.43 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Q' Q ' 7' ' ' ILE . . . . . 0.591 HD11 HD11 ' Q' ' 5' ' ' LEU . 45.5 mm . . . . . 0 C--O 1.218 -0.604 0 CA-C-O 117.716 -1.135 . . . . 0.0 110.471 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -113.93 122.61 47.5 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 3' ' ' VAL . . . . . 0.663 HG11 HD13 ' E' ' 5' ' ' LEU . 50.8 t -118.31 121.45 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.94 177.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.51 130.62 55.28 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 5' ' ' LEU . . . . . 0.914 HD11 HD11 ' E' ' 5' ' ' LEU . 69.0 mt -121.13 113.21 19.68 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.186 0.303 . . . . 0.0 110.234 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -123.32 107.84 12.1 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 8.0 mm . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.67 -179.369 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' U' U ' 1' ' ' ILE . . . . . 0.483 HD13 HD12 ' G' ' 7' ' ' ILE . 1.5 tt . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 121.345 0.593 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -109.88 124.01 50.6 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -115.51 124.76 72.34 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -118.37 129.51 55.47 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' U' U ' 5' ' ' LEU . . . . . 0.615 HD11 HD11 ' U' ' 7' ' ' ILE . 51.4 tp -124.49 123.03 39.25 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 121.179 -0.209 . . . . 0.0 110.956 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -132.0 104.48 6.85 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' U' U ' 7' ' ' ILE . . . . . 0.615 HD11 HD11 ' U' ' 5' ' ' LEU . 45.1 mm . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 117.804 -1.093 . . . . 0.0 110.679 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -112.06 122.79 48.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 3' ' ' VAL . . . . . 0.606 HG11 HD13 ' I' ' 5' ' ' LEU . 60.4 t -118.31 121.33 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.32 130.12 55.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 5' ' ' LEU . . . . . 0.989 HD11 HD11 ' I' ' 5' ' ' LEU . 60.7 mt -120.78 110.7 16.68 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.374 0.421 . . . . 0.0 110.507 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -120.88 107.48 12.75 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 8.9 mm . . . . . 0 C--O 1.218 -0.563 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.703 -179.424 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' Y' Y ' 1' ' ' ILE . . . . . 0.509 HD13 HD12 ' K' ' 7' ' ' ILE . 1.9 tt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -108.6 124.83 51.1 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.68 125.03 72.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -118.06 130.15 55.98 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Y' Y ' 5' ' ' LEU . . . . . 0.595 HD11 HD11 ' Y' ' 7' ' ' ILE . 46.3 tp -124.67 121.74 35.54 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.433 0.159 . . . . 0.0 110.64 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -132.04 104.42 6.81 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Y' Y ' 7' ' ' ILE . . . . . 0.595 HD11 HD11 ' Y' ' 5' ' ' LEU . 44.3 mm . . . . . 0 C--O 1.217 -0.607 0 CA-C-O 117.773 -1.108 . . . . 0.0 110.652 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 84.2 mt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -113.34 123.12 49.37 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.4 t -118.23 122.78 70.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.25 130.36 56.01 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mt -140.08 115.83 10.2 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.066 0.46 . . . . 0.0 110.947 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -114.77 106.49 14.26 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.6 pt . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.557 -179.351 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 1' ' ' ILE . . . . . 0.471 HD12 ' CG2' ' Q' ' 7' ' ' ILE . 97.0 mt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -110.56 124.4 51.77 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -115.66 125.62 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -117.99 128.64 54.99 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 5' ' ' LEU . . . . . 0.427 HD11 HD11 ' Q' ' 5' ' ' LEU . 4.5 mt -136.74 126.81 26.09 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 120.791 0.329 . . . . 0.0 110.826 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -125.17 115.01 19.76 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.436 ' CG2' HD12 ' Q' ' 1' ' ' ILE . 4.5 mt . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.949 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 84.9 mt . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -112.58 123.46 50.34 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.07 122.46 69.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.35 129.91 55.7 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 6.2 mt -138.9 115.12 10.32 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.124 0.488 . . . . 0.0 111.088 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -113.78 107.24 15.47 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.039 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 pt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.706 -179.047 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' G' G ' 1' ' ' ILE . . . . . 0.432 HD12 ' CG2' ' U' ' 7' ' ' ILE . 97.3 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -110.1 124.57 51.74 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -115.4 125.49 72.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -118.17 128.5 54.78 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 5' ' ' LEU . . . . . 0.504 HD11 HD11 ' U' ' 5' ' ' LEU . 5.7 mt -136.26 127.25 27.74 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.742 0.306 . . . . 0.0 110.811 -178.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -125.58 113.5 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.096 -0.954 . . . . 0.0 109.981 -179.364 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 85.8 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -111.04 123.64 50.58 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 48.5 t -117.8 122.05 68.84 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.44 129.71 55.55 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 mt -138.39 114.95 10.52 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.232 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -113.24 105.55 13.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.323 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 pt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.108 -0.949 . . . . 0.0 110.652 -179.33 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -107.68 124.88 50.64 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 61.1 t -115.02 125.34 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.17 128.63 54.9 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' K' K ' 5' ' ' LEU . . . . . 0.46 HD11 HD11 ' Y' ' 5' ' ' LEU . 9.6 mt -136.62 126.63 26.02 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.447 0.165 . . . . 0.0 110.559 -178.293 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -125.01 111.11 15.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.02 -179.276 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -113.0 123.01 49.35 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 45.9 t -118.14 122.68 70.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -118.22 130.01 55.82 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mt -139.47 117.66 11.91 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.164 0.507 . . . . 0.0 111.082 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -116.25 106.23 13.45 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 pt . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.488 -179.444 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' Q' Q ' 1' ' ' ILE . . . . . 0.436 HD12 ' CG2' ' C' ' 7' ' ' ILE . 96.2 mt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -110.79 124.51 52.16 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -115.56 125.48 72.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -118.06 128.33 54.65 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 5' ' ' LEU . . . . . 0.427 HD11 HD11 ' C' ' 5' ' ' LEU . 5.2 mt -136.72 127.1 26.61 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 -178.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -125.69 114.72 19.03 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Q' Q ' 7' ' ' ILE . . . . . 0.471 ' CG2' HD12 ' C' ' 1' ' ' ILE . 4.4 mt . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.945 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 88.0 mt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -112.15 123.33 50.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.07 122.33 69.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.33 129.8 55.65 Favored 'General case' 0 N--CA 1.433 -1.285 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 mt -138.42 115.8 11.18 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.143 0.497 . . . . 0.0 111.262 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -114.69 107.12 15.04 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.109 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 23.7 pt . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.681 -179.189 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -110.15 124.6 51.85 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.34 125.46 72.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.22 128.25 54.52 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' U' U ' 5' ' ' LEU . . . . . 0.504 HD11 HD11 ' G' ' 5' ' ' LEU . 6.6 mt -136.38 127.22 27.46 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.758 0.313 . . . . 0.0 110.895 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -125.86 113.43 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' U' U ' 7' ' ' ILE . . . . . 0.432 ' CG2' HD12 ' G' ' 1' ' ' ILE . 3.5 mt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.955 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 89.2 mt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -110.77 123.48 50.16 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -117.7 122.02 68.82 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.39 129.56 55.48 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 mt -138.44 114.78 10.35 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.069 0.461 . . . . 0.0 111.202 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -113.43 105.8 13.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.429 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' W' W ' 7' ' ' ILE . . . . . 0.421 ' OXT' ' O ' ' Y' ' 6' ' ' GLN . 19.3 pt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.738 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -107.69 124.88 50.65 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -115.09 125.21 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -118.21 128.84 55.08 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Y' Y ' 5' ' ' LEU . . . . . 0.46 HD11 HD11 ' K' ' 5' ' ' LEU . 10.7 mt -136.77 127.13 26.56 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.785 -0.188 . . . . 0.0 110.603 -178.291 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Y' Y ' 6' ' ' GLN . . . . . 0.421 ' O ' ' OXT' ' W' ' 7' ' ' ILE . 50.8 tt0 -125.49 111.58 15.24 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.265 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.003 -179.259 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -112.85 123.13 49.61 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.3 t -118.42 122.66 70.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.79 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -117.97 130.44 56.2 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.532 0.206 . . . . 0.0 110.667 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.629 HD11 HD11 ' O' ' 5' ' ' LEU . 9.4 mt -128.21 123.58 34.6 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.032 -178.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -129.51 106.45 8.76 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.0 mt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.189 -179.332 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 1' ' ' ILE . . . . . 0.781 HD13 HG23 ' E' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -112.25 123.72 50.9 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.483 HG11 HD22 ' Q' ' 5' ' ' LEU . 86.2 t -115.73 125.71 72.99 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -117.69 128.6 55.06 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 5' ' ' LEU . . . . . 0.688 HD21 HD11 ' C' ' 7' ' ' ILE . 41.5 tp -129.3 113.83 15.49 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.653 -179.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -121.13 113.65 20.32 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.688 HD11 HD21 ' C' ' 5' ' ' LEU . 17.6 mt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.879 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 1' ' ' ILE . . . . . 0.781 HG23 HD13 ' C' ' 1' ' ' ILE . 96.8 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -113.49 123.24 49.56 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 84.3 t -118.69 122.52 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.27 130.08 55.84 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.841 177.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 5' ' ' LEU . . . . . 0.503 HD11 HD11 ' S' ' 5' ' ' LEU . 7.4 mt -127.87 120.45 27.77 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -178.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -126.59 106.37 9.37 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 7' ' ' ILE . . . . . 0.502 HG12 HD12 ' C' ' 7' ' ' ILE . 80.9 mt . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.162 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 1' ' ' ILE . . . . . 0.819 HD13 HG23 ' I' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -112.0 123.76 50.95 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 176.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.531 HG11 HD22 ' U' ' 5' ' ' LEU . 89.1 t -115.67 125.73 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -117.84 128.58 54.98 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 5' ' ' LEU . . . . . 0.713 HD21 HD11 ' G' ' 7' ' ' ILE . 41.5 tp -128.99 113.97 15.83 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.729 0.299 . . . . 0.0 110.722 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -120.93 111.05 17.03 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 7' ' ' ILE . . . . . 0.713 HD11 HD21 ' G' ' 5' ' ' LEU . 21.3 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.911 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 1' ' ' ILE . . . . . 0.819 HG23 HD13 ' G' ' 1' ' ' ILE . 96.7 mt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -113.35 123.3 49.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 79.7 t -118.67 122.77 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.36 129.77 55.62 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 117.752 0.251 . . . . 0.0 111.338 177.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 5' ' ' LEU . . . . . 0.519 HD11 HD11 ' W' ' 5' ' ' LEU . 8.4 mt -127.36 119.06 25.37 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.291 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -125.28 106.38 9.81 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 7' ' ' ILE . . . . . 0.509 HG12 HD12 ' G' ' 7' ' ' ILE . 84.2 mt . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.192 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' K' K ' 1' ' ' ILE . . . . . 0.752 HD13 ' O ' ' K' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 108.939 -0.764 . . . . 0.0 108.939 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.84 123.76 50.73 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.48 HG11 HD22 ' Y' ' 5' ' ' LEU . 88.8 t -115.72 125.71 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.01 129.1 55.38 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' K' K ' 5' ' ' LEU . . . . . 0.615 HD21 HD11 ' K' ' 7' ' ' ILE . 42.0 tp -129.32 115.41 17.54 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.532 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -122.8 107.31 11.74 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' K' K ' 7' ' ' ILE . . . . . 0.615 HD11 HD21 ' K' ' 5' ' ' LEU . 45.0 mt . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.573 -178.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 97.1 mt . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -112.64 123.16 49.68 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 90.6 t -118.38 122.73 70.27 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -118.06 130.59 56.24 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 120.528 0.204 . . . . 0.0 110.745 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' O' O ' 5' ' ' LEU . . . . . 0.629 HD11 HD11 ' A' ' 5' ' ' LEU . 8.7 mt -128.43 123.28 33.34 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.917 -178.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -128.89 106.57 8.99 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.077 -179.338 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' Q' Q ' 1' ' ' ILE . . . . . 0.782 HD13 HG23 ' S' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -112.37 123.6 50.65 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 3' ' ' VAL . . . . . 0.483 HG11 HD22 ' C' ' 5' ' ' LEU . 85.7 t -115.64 125.79 72.94 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -117.98 128.56 54.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 5' ' ' LEU . . . . . 0.673 HD21 HD11 ' Q' ' 7' ' ' ILE . 38.6 tp -128.98 114.16 16.08 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.571 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -121.26 113.55 20.1 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Q' Q ' 7' ' ' ILE . . . . . 0.673 HD11 HD21 ' Q' ' 5' ' ' LEU . 17.7 mt . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.901 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 1' ' ' ILE . . . . . 0.782 HG23 HD13 ' Q' ' 1' ' ' ILE . 97.0 mt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -113.47 123.32 49.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 82.3 t -118.64 122.63 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -118.37 130.09 55.8 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 117.721 0.237 . . . . 0.0 110.892 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 5' ' ' LEU . . . . . 0.503 HD11 HD11 ' E' ' 5' ' ' LEU . 6.9 mt -128.21 120.87 28.11 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -126.92 106.66 9.46 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 7' ' ' ILE . . . . . 0.558 HG12 HD12 ' Q' ' 7' ' ' ILE . 79.2 mt . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.17 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' U' U ' 1' ' ' ILE . . . . . 0.801 HD13 HG23 ' W' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -112.03 123.73 50.89 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' U' U ' 3' ' ' VAL . . . . . 0.508 HG11 HD22 ' G' ' 5' ' ' LEU . 85.1 t -115.64 125.8 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.358 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -117.84 128.6 55.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' U' U ' 5' ' ' LEU . . . . . 0.707 HD21 HD11 ' U' ' 7' ' ' ILE . 40.7 tp -129.27 113.89 15.57 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.724 0.297 . . . . 0.0 110.73 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -120.82 111.14 17.18 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' U' U ' 7' ' ' ILE . . . . . 0.707 HD11 HD21 ' U' ' 5' ' ' LEU . 20.7 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.912 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' W' W ' 1' ' ' ILE . . . . . 0.801 HG23 HD13 ' U' ' 1' ' ' ILE . 97.0 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -113.41 123.69 50.67 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.32 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 82.3 t -118.54 122.64 69.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 176.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.23 129.52 55.53 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 117.777 0.262 . . . . 0.0 111.023 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' W' W ' 5' ' ' LEU . . . . . 0.519 HD11 HD11 ' I' ' 5' ' ' LEU . 8.4 mt -127.77 119.84 26.62 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.149 -178.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -126.08 106.71 9.78 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' W' W ' 7' ' ' ILE . . . . . 0.55 HG12 HD12 ' U' ' 7' ' ' ILE . 82.2 mt . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.313 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Y' Y ' 1' ' ' ILE . . . . . 0.771 ' O ' HD13 ' Y' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -110.97 123.91 51.11 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Y' Y ' 3' ' ' VAL . . . . . 0.423 HG11 HD22 ' K' ' 5' ' ' LEU . 89.7 t -115.57 125.85 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -118.11 129.18 55.39 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Y' Y ' 5' ' ' LEU . . . . . 0.626 HD21 HD11 ' Y' ' 7' ' ' ILE . 41.6 tp -129.64 114.96 16.67 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.553 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -122.18 107.5 12.23 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Y' Y ' 7' ' ' ILE . . . . . 0.626 HD11 HD21 ' Y' ' 5' ' ' LEU . 42.4 mt . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.792 -1.099 . . . . 0.0 109.497 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.0 tt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.633 0.73 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -113.94 122.8 48.08 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.643 HG11 HD13 ' O' ' 5' ' ' LEU . 59.2 t -118.12 122.21 69.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -118.55 131.08 56.22 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-O 120.723 0.297 . . . . 0.0 111.633 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.844 HD11 HD11 ' O' ' 5' ' ' LEU . 77.4 mt -127.02 122.97 35.95 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.02 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -126.88 108.07 10.66 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.8 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.111 -0.947 . . . . 0.0 109.693 -179.071 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 94.7 mt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -112.37 123.13 49.61 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.411 HG23 ' O ' ' C' ' 3' ' ' VAL . 34.6 m -116.48 125.43 73.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 177.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -118.85 129.33 55.16 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.59 116.97 18.08 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.975 0.417 . . . . 0.0 110.745 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -115.35 113.35 23.68 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 23.8 mm . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 118.154 -0.927 . . . . 0.0 109.816 -179.208 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.367 0.604 . . . . 0.0 109.896 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.94 123.21 49.2 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.745 HG11 HD13 ' S' ' 5' ' ' LEU . 62.6 t -117.75 121.08 66.58 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.218 178.033 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -119.4 130.13 55.15 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.701 178.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 5' ' ' LEU . . . . . 0.967 HD11 HD11 ' S' ' 5' ' ' LEU . 72.9 mt -126.48 123.29 37.48 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.856 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -127.32 108.57 10.97 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 63.1 mt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.022 -178.859 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -111.72 123.55 50.47 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.419 ' O ' HG23 ' G' ' 3' ' ' VAL . 34.6 m -116.13 125.26 73.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -118.59 129.24 55.22 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.79 117.41 18.53 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.13 0.49 . . . . 0.0 111.177 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -115.97 111.14 19.94 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.487 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 118.174 -0.917 . . . . 0.0 109.945 -179.462 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.86 123.54 50.03 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.72 HG11 HD13 ' W' ' 5' ' ' LEU . 64.1 t -117.45 120.95 66.39 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.533 178.129 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -119.42 129.87 55.0 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.855 177.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 5' ' ' LEU . . . . . 0.997 HD11 HD11 ' W' ' 5' ' ' LEU . 68.1 mt -126.54 122.6 35.59 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.861 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -125.9 107.98 11.0 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.333 -178.898 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 93.4 mt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -108.88 124.59 50.88 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.448 ' O ' HG23 ' K' ' 3' ' ' VAL . 30.9 m -115.24 125.18 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.89 129.49 55.22 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.59 118.33 19.07 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -117.52 107.25 14.06 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 27.3 mm . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.135 -0.936 . . . . 0.0 109.713 -179.392 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 2.2 tt . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.619 0.723 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -113.77 122.82 48.25 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' O' O ' 3' ' ' VAL . . . . . 0.683 HG11 HD13 ' A' ' 5' ' ' LEU . 61.3 t -118.03 122.22 69.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.6 131.15 56.19 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 120.725 0.298 . . . . 0.0 111.646 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' O' O ' 5' ' ' LEU . . . . . 0.844 HD11 HD11 ' A' ' 5' ' ' LEU . 77.1 mt -126.97 123.52 37.34 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.014 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -127.66 107.82 10.23 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.771 -179.047 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 93.2 mt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -112.22 123.02 49.37 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 177.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 3' ' ' VAL . . . . . 0.434 HG23 ' O ' ' Q' ' 3' ' ' VAL . 34.2 m -116.44 125.47 73.47 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -118.78 129.44 55.24 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.79 116.72 17.62 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.087 0.47 . . . . 0.0 110.736 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -114.99 113.01 23.54 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.074 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 24.5 mm . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.758 -179.374 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.473 0.654 . . . . 0.0 109.822 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.99 123.51 49.88 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.447 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' S' S ' 3' ' ' VAL . . . . . 0.8 HG11 HD13 ' E' ' 5' ' ' LEU . 60.0 t -117.71 121.26 67.02 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.154 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -119.19 130.33 55.44 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.67 178.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' S' S ' 5' ' ' LEU . . . . . 0.967 HD11 HD11 ' E' ' 5' ' ' LEU . 75.0 mt -126.51 123.26 37.38 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.874 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -127.28 108.46 10.88 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 63.3 mt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.169 -178.78 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 92.0 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -111.76 123.54 50.46 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' U' U ' 3' ' ' VAL . . . . . 0.431 ' O ' HG23 ' U' ' 3' ' ' VAL . 34.7 m -116.17 125.34 73.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -118.47 129.33 55.32 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.79 117.34 18.44 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.049 0.452 . . . . 0.0 111.329 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -116.01 111.28 20.12 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.519 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 mm . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.134 -0.936 . . . . 0.0 109.911 -179.485 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.359 0.599 . . . . 0.0 109.714 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.8 123.73 50.53 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 177.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' W' W ' 3' ' ' VAL . . . . . 0.771 HG11 HD13 ' I' ' 5' ' ' LEU . 62.4 t -117.47 121.17 66.94 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.506 177.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -119.35 129.85 55.05 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.568 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' W' W ' 5' ' ' LEU . . . . . 0.997 HD11 HD11 ' I' ' 5' ' ' LEU . 72.2 mt -126.78 121.81 33.01 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.971 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -125.64 108.26 11.39 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 62.4 mt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.358 -178.9 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 87.6 mt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -108.3 124.4 50.28 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Y' Y ' 3' ' ' VAL . . . . . 0.451 HG23 ' O ' ' Y' ' 3' ' ' VAL . 31.7 m -115.24 125.12 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.9 129.94 55.46 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.06 118.23 18.51 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 120.861 0.362 . . . . 0.0 110.97 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -117.2 107.95 15.07 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 27.5 mm . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.144 -0.931 . . . . 0.0 109.737 -179.54 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.51 ' O ' HD12 ' C' ' 1' ' ' ILE . 72.3 mt . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -112.92 122.62 48.19 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 3' ' ' VAL . 34.2 m -118.5 122.82 70.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.043 178.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.75 130.92 56.07 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 116.807 -0.179 . . . . 0.0 110.552 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -124.18 123.81 41.1 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.786 0.327 . . . . 0.0 110.698 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -135.95 110.58 8.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.779 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.7 pt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.476 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 1' ' ' ILE . . . . . 0.957 HG21 HG21 ' Q' ' 7' ' ' ILE . 1.4 tp . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.269 0.557 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -111.21 124.27 51.88 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 38.5 t -114.48 124.74 71.43 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -119.1 128.69 54.54 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 5' ' ' LEU . . . . . 0.438 HD11 HD11 ' Q' ' 5' ' ' LEU . 20.5 mt -128.31 123.02 32.97 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.671 -178.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -136.48 107.31 6.63 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.965 HG21 HG21 ' Q' ' 1' ' ' ILE . 19.5 mm . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.237 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 1' ' ' ILE . . . . . 0.79 HG23 HG23 ' C' ' 1' ' ' ILE . 60.1 mt . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -111.42 122.31 47.5 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.487 HG23 ' O ' ' E' ' 3' ' ' VAL . 31.1 m -119.05 122.6 69.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 177.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -118.68 130.44 55.84 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 116.797 -0.183 . . . . 0.0 110.773 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 tp -123.1 122.01 37.42 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.198 0.311 . . . . 0.0 111.308 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -134.24 113.34 11.88 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.969 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 7' ' ' ILE . . . . . 0.557 HD11 HD12 ' G' ' 7' ' ' ILE . 44.0 pt . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.755 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 1' ' ' ILE . . . . . 0.932 HG21 HG21 ' U' ' 7' ' ' ILE . 1.3 tp . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 121.078 0.466 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -110.05 124.25 51.14 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 36.8 t -114.57 124.61 71.39 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -118.97 128.63 54.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 5' ' ' LEU . . . . . 0.469 HD11 HD11 ' U' ' 5' ' ' LEU . 22.3 mt -127.66 122.55 33.32 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.533 -178.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -135.55 107.29 7.0 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 7' ' ' ILE . . . . . 0.928 HG21 HG21 ' U' ' 1' ' ' ILE . 19.3 mm . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.256 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 1' ' ' ILE . . . . . 0.655 HG23 HG23 ' G' ' 1' ' ' ILE . 61.8 mt . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -111.92 122.44 47.79 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.477 ' O ' HG23 ' I' ' 3' ' ' VAL . 32.6 m -119.19 122.53 69.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -118.6 130.59 55.96 Favored 'General case' 0 N--CA 1.436 -1.16 0 C-N-CA 121.167 -0.213 . . . . 0.0 110.841 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 53.9 tp -122.81 121.22 35.74 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.762 0.315 . . . . 0.0 111.547 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -133.17 113.53 12.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.19 178.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 7' ' ' ILE . . . . . 0.56 HD11 HD12 ' K' ' 7' ' ' ILE . 43.0 pt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.833 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' K' K ' 1' ' ' ILE . . . . . 0.901 HG21 HG21 ' Y' ' 7' ' ' ILE . 1.2 tp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -107.93 124.68 50.49 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 175.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 30.0 t -114.05 124.73 70.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.79 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -118.8 128.47 54.49 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 mt -126.53 122.6 35.61 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -136.56 106.49 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' K' K ' 7' ' ' ILE . . . . . 0.864 HG21 HG21 ' Y' ' 1' ' ' ILE . 18.0 mm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.18 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' O' O ' 1' ' ' ILE . . . . . 0.499 ' O ' HD12 ' Q' ' 1' ' ' ILE . 71.9 mt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -112.53 122.52 47.94 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' O' O ' 3' ' ' VAL . . . . . 0.508 HG23 ' O ' ' O' ' 3' ' ' VAL . 33.9 m -118.62 122.49 69.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.61 131.04 56.19 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 116.768 -0.197 . . . . 0.0 110.561 178.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 tp -124.18 124.14 41.82 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.752 0.31 . . . . 0.0 110.767 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -136.55 111.1 8.59 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' O' O ' 7' ' ' ILE . . . . . 0.439 HD11 HD12 ' Q' ' 7' ' ' ILE . 44.7 pt . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.451 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 1' ' ' ILE . . . . . 0.965 HG21 HG21 ' C' ' 7' ' ' ILE . 1.4 tp . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.438 0.637 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -110.76 124.51 52.13 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 40.3 t -114.87 124.62 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.8 128.85 54.85 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 177.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 5' ' ' LEU . . . . . 0.438 HD11 HD11 ' C' ' 5' ' ' LEU . 18.0 mt -128.41 122.26 30.96 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.914 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -135.96 107.93 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Q' Q ' 7' ' ' ILE . . . . . 0.957 HG21 HG21 ' C' ' 1' ' ' ILE . 16.3 mm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.137 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' S' S ' 1' ' ' ILE . . . . . 0.583 HG23 HG23 ' Q' ' 1' ' ' ILE . 62.5 mt . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -112.05 122.61 48.23 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.01 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' S' S ' 3' ' ' VAL . . . . . 0.517 ' O ' HG23 ' S' ' 3' ' ' VAL . 31.3 m -118.96 122.59 69.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.16 177.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -118.71 130.48 55.85 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 121.131 -0.227 . . . . 0.0 110.765 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 55.7 tp -122.82 121.0 35.19 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.818 0.342 . . . . 0.0 111.161 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -133.29 113.07 12.2 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.842 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' S' S ' 7' ' ' ILE . . . . . 0.556 HD11 HD12 ' U' ' 7' ' ' ILE . 44.1 pt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.607 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' U' U ' 1' ' ' ILE . . . . . 0.928 HG21 HG21 ' G' ' 7' ' ' ILE . 1.2 tp . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 121.053 0.454 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -109.02 124.35 50.59 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 38.6 t -114.8 124.5 71.52 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -118.6 128.77 54.86 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' U' U ' 5' ' ' LEU . . . . . 0.469 HD11 HD11 ' G' ' 5' ' ' LEU . 21.3 mt -127.89 121.18 29.36 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.818 -178.317 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -134.64 107.66 7.61 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' U' U ' 7' ' ' ILE . . . . . 0.932 HG21 HG21 ' G' ' 1' ' ' ILE . 17.5 mm . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.198 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' W' W ' 1' ' ' ILE . . . . . 0.518 HG23 HG23 ' U' ' 1' ' ' ILE . 62.8 mt . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -110.87 122.47 47.93 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.424 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' W' W ' 3' ' ' VAL . . . . . 0.496 HG23 ' O ' ' W' ' 3' ' ' VAL . 31.4 m -119.14 122.57 69.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.371 177.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.37 130.3 55.92 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.764 178.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 54.5 tp -122.67 120.12 32.76 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.824 0.345 . . . . 0.0 111.384 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -132.11 113.19 13.03 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.118 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' W' W ' 7' ' ' ILE . . . . . 0.54 HD11 HD12 ' Y' ' 7' ' ' ILE . 43.3 pt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.801 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Y' Y ' 1' ' ' ILE . . . . . 0.864 HG21 HG21 ' K' ' 7' ' ' ILE . 1.3 tp . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -107.6 124.46 49.97 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 34.2 t -114.38 125.0 71.58 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.819 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -118.69 128.97 55.02 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 37.6 mt -126.53 122.02 33.97 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.591 0.234 . . . . 0.0 110.465 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -136.17 106.94 6.59 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Y' Y ' 7' ' ' ILE . . . . . 0.901 HG21 HG21 ' K' ' 1' ' ' ILE . 19.0 mm . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.218 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 92.4 mt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -114.09 122.4 46.75 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.2 t -119.03 121.79 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.26 131.17 55.74 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 120.545 0.212 . . . . 0.0 111.198 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.2 tp -116.89 120.63 39.07 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.67 107.14 9.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 pt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.735 -178.864 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 1' ' ' ILE . . . . . 0.477 HD12 HD12 ' Q' ' 7' ' ' ILE . 90.1 mt . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -111.64 123.23 49.81 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.457 HG12 HD21 ' C' ' 5' ' ' LEU . 62.3 t -116.2 124.42 72.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 4' ' ' HIS . . . . . 0.522 ' C ' HD22 ' C' ' 5' ' ' LEU . 23.5 m170 -119.14 129.35 54.98 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 5' ' ' LEU . . . . . 0.721 ' N ' HD22 ' C' ' 5' ' ' LEU . 1.9 mm? -117.16 123.0 45.65 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -135.64 117.62 15.3 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.049 0.452 . . . . 0.0 109.923 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.623 HD11 HD13 ' S' ' 1' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 117.811 -1.09 . . . . 0.0 110.494 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 1' ' ' ILE . . . . . 0.636 HD13 HD11 ' Q' ' 7' ' ' ILE . 92.7 mt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -113.77 122.32 46.74 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 64.1 t -119.09 121.41 66.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.51 130.63 55.29 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.149 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 5' ' ' LEU . . . . . 0.4 HD11 ' CG2' ' E' ' 7' ' ' ILE . 60.8 tp -116.1 121.33 41.85 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -130.84 109.65 10.72 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 7' ' ' ILE . . . . . 0.4 ' CG2' HD11 ' E' ' 5' ' ' LEU . 32.2 pt . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.699 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -111.32 123.35 50.04 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.439 HG12 HD21 ' G' ' 5' ' ' LEU . 61.3 t -116.18 124.51 72.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.251 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 4' ' ' HIS . . . . . 0.504 ' C ' HD22 ' G' ' 5' ' ' LEU . 25.0 m170 -119.05 129.09 54.92 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 5' ' ' LEU . . . . . 0.722 HD22 ' N ' ' G' ' 5' ' ' LEU . 1.9 mm? -116.66 121.92 43.07 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 178.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -135.62 115.51 13.09 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 7' ' ' ILE . . . . . 0.555 HD11 HD13 ' W' ' 1' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.667 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 1' ' ' ILE . . . . . 0.602 HD13 HD11 ' U' ' 7' ' ' ILE . 90.2 mt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -113.48 122.34 47.0 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 63.3 t -119.03 121.48 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -119.55 130.26 55.07 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.105 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 5' ' ' LEU . . . . . 0.435 HD11 ' CG2' ' I' ' 7' ' ' ILE . 58.7 tp -115.25 120.89 41.21 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.823 0.344 . . . . 0.0 110.578 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -130.82 110.46 11.33 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 7' ' ' ILE . . . . . 0.435 ' CG2' HD11 ' I' ' 5' ' ' LEU . 29.0 pt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.668 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -110.42 123.58 50.14 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.416 HG12 HD21 ' K' ' 5' ' ' LEU . 67.0 t -115.82 124.78 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' K' K ' 4' ' ' HIS . . . . . 0.505 ' C ' HD22 ' K' ' 5' ' ' LEU . 26.6 m170 -118.91 129.22 55.07 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.276 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' K' K ' 5' ' ' LEU . . . . . 0.755 ' N ' HD22 ' K' ' 5' ' ' LEU . 1.7 mm? -116.09 121.76 43.12 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -137.52 114.1 10.34 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 7' ' ' ILE . . . . . 0.403 HD13 HG21 ' K' ' 7' ' ' ILE . 2.0 pt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.391 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 92.3 mt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.82 122.23 46.42 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 66.3 t -118.93 121.72 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.1 131.15 55.9 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 120.469 0.176 . . . . 0.0 111.222 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 62.9 tp -116.96 120.68 39.17 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.8 107.78 9.66 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 47.4 pt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.669 -178.852 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' Q' Q ' 1' ' ' ILE . . . . . 0.464 HD12 HD12 ' C' ' 7' ' ' ILE . 88.5 mt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -111.78 123.21 49.75 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 3' ' ' VAL . . . . . 0.467 HG12 HD21 ' Q' ' 5' ' ' LEU . 60.3 t -116.08 124.36 72.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 4' ' ' HIS . . . . . 0.513 ' C ' HD22 ' Q' ' 5' ' ' LEU . 23.9 m170 -119.33 129.38 54.83 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 5' ' ' LEU . . . . . 0.725 HD22 ' N ' ' Q' ' 5' ' ' LEU . 1.9 mm? -117.14 123.22 46.2 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -135.93 117.67 15.05 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.036 0.446 . . . . 0.0 109.929 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Q' Q ' 7' ' ' ILE . . . . . 0.636 HD11 HD13 ' E' ' 1' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 117.898 -1.048 . . . . 0.0 110.552 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 1' ' ' ILE . . . . . 0.623 HD13 HD11 ' C' ' 7' ' ' ILE . 94.0 mt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -113.73 122.44 47.13 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 63.4 t -119.17 121.45 66.68 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.366 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.49 130.93 55.47 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.102 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 60.5 tp -116.58 121.39 41.61 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -130.91 110.13 11.05 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 32.7 pt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.717 -178.601 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 90.4 mt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -111.37 123.24 49.82 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' U' U ' 3' ' ' VAL . . . . . 0.448 HG12 HD21 ' U' ' 5' ' ' LEU . 61.2 t -116.15 124.57 72.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.255 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' U' U ' 4' ' ' HIS . . . . . 0.504 ' C ' HD22 ' U' ' 5' ' ' LEU . 24.5 m170 -119.03 129.2 54.99 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' U' U ' 5' ' ' LEU . . . . . 0.716 ' N ' HD22 ' U' ' 5' ' ' LEU . 1.8 mm? -116.83 121.51 41.73 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -135.23 115.65 13.57 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' U' U ' 7' ' ' ILE . . . . . 0.602 HD11 HD13 ' I' ' 1' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.6 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 1' ' ' ILE . . . . . 0.555 HD13 HD11 ' G' ' 7' ' ' ILE . 93.7 mt . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -113.3 122.44 47.41 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.811 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.0 121.55 67.1 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.47 130.15 55.09 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.851 -0.339 . . . . 0.0 110.834 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' W' W ' 5' ' ' LEU . . . . . 0.432 HD11 ' CG2' ' W' ' 7' ' ' ILE . 58.3 tp -115.73 121.15 41.62 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.867 0.365 . . . . 0.0 110.652 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -131.15 111.21 11.76 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' W' W ' 7' ' ' ILE . . . . . 0.432 ' CG2' HD11 ' W' ' 5' ' ' LEU . 29.7 pt . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.696 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 91.8 mt . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -110.25 123.6 50.09 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Y' Y ' 3' ' ' VAL . . . . . 0.409 HG12 HD21 ' Y' ' 5' ' ' LEU . 66.9 t -115.97 124.7 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Y' Y ' 4' ' ' HIS . . . . . 0.514 ' C ' HD22 ' Y' ' 5' ' ' LEU . 24.0 m170 -118.89 129.39 55.17 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.45 178.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Y' Y ' 5' ' ' LEU . . . . . 0.757 HD22 ' N ' ' Y' ' 5' ' ' LEU . 1.7 mm? -115.97 121.36 42.03 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -136.97 114.01 10.6 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.318 -179.024 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.482 HD12 HD12 ' O' ' 7' ' ' ILE . 82.1 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -113.44 122.88 48.66 Favored 'General case' 0 N--CA 1.438 -1.026 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -117.93 121.64 67.83 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -119.08 130.95 55.87 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.309 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.675 ' C ' HD13 ' A' ' 5' ' ' LEU . 2.7 tm? -121.83 118.56 29.28 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -133.74 119.01 18.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.482 HD12 HD12 ' O' ' 1' ' ' ILE . 45.6 pt . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.985 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 93.1 mt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -111.32 123.64 50.62 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.582 HG11 HD13 ' Q' ' 5' ' ' LEU . 58.0 t -115.78 124.97 72.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -119.03 129.6 55.2 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.641 HD13 HG11 ' Q' ' 3' ' ' VAL . 72.3 mt -122.09 123.39 41.46 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -138.77 112.69 8.49 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.442 HG12 HG22 ' E' ' 7' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.678 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.681 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 1' ' ' ILE . . . . . 0.462 HD13 HD11 ' Q' ' 7' ' ' ILE . 83.9 mt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -113.42 122.96 48.9 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.85 121.32 67.1 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -119.32 130.45 55.38 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.188 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 5' ' ' LEU . . . . . 0.647 HD13 ' C ' ' E' ' 5' ' ' LEU . 2.7 tm? -121.55 116.61 24.98 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -133.0 117.85 18.11 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 7' ' ' ILE . . . . . 0.442 HG22 HG12 ' C' ' 7' ' ' ILE . 46.6 pt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.852 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -110.94 123.88 51.02 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.517 HG11 HD13 ' U' ' 5' ' ' LEU . 59.8 t -115.75 124.78 72.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -118.66 129.54 55.36 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 5' ' ' LEU . . . . . 0.549 HD13 HG11 ' U' ' 3' ' ' VAL . 73.0 mt -122.06 122.34 39.05 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -139.15 112.99 8.5 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.597 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 1' ' ' ILE . . . . . 0.474 HD13 HD11 ' U' ' 7' ' ' ILE . 82.0 mt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -112.95 123.03 49.38 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -117.86 121.23 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -119.29 130.27 55.32 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.215 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 5' ' ' LEU . . . . . 0.624 ' C ' HD13 ' I' ' 5' ' ' LEU . 2.8 tm? -121.52 114.48 21.29 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -131.74 117.25 18.35 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.517 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 7' ' ' ILE . . . . . 0.425 HD11 HD13 ' Y' ' 1' ' ' ILE . 43.2 pt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.775 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -110.17 124.16 51.05 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 63.8 t -115.46 125.07 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -118.62 129.79 55.51 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 5' ' ' LEU . . . . . 0.408 HD11 HD11 ' Y' ' 5' ' ' LEU . 76.6 mt -120.95 122.86 41.09 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -141.3 111.57 6.83 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 pt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.585 -179.032 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' O' O ' 1' ' ' ILE . . . . . 0.482 HD12 HD12 ' A' ' 7' ' ' ILE . 82.2 mt . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.63 122.8 48.27 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.96 121.62 67.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.93 131.1 56.02 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-O 120.622 0.249 . . . . 0.0 111.249 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 5' ' ' LEU . . . . . 0.676 HD13 ' C ' ' O' ' 5' ' ' LEU . 2.7 tm? -122.08 118.46 28.78 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -133.88 119.25 18.91 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 7' ' ' ILE . . . . . 0.482 HD12 HD12 ' A' ' 1' ' ' ILE . 44.7 pt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.957 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -111.42 123.82 50.99 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 3' ' ' VAL . . . . . 0.641 HG11 HD13 ' C' ' 5' ' ' LEU . 58.2 t -116.09 124.79 72.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -118.83 129.66 55.34 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 5' ' ' LEU . . . . . 0.582 HD13 HG11 ' C' ' 3' ' ' VAL . 73.1 mt -121.87 123.42 41.7 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -138.77 112.59 8.43 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Q' Q ' 7' ' ' ILE . . . . . 0.467 HG12 HG22 ' S' ' 7' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.676 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 1' ' ' ILE . . . . . 0.422 HD13 HD11 ' C' ' 7' ' ' ILE . 83.5 mt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.51 123.04 49.05 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.9 121.32 67.08 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -119.27 130.57 55.49 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.199 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 5' ' ' LEU . . . . . 0.655 ' C ' HD13 ' S' ' 5' ' ' LEU . 2.7 tm? -122.01 116.63 24.64 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -133.13 118.27 18.5 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.278 0.561 . . . . 0.0 109.576 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 7' ' ' ILE . . . . . 0.467 HG22 HG12 ' Q' ' 7' ' ' ILE . 46.7 pt . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.703 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 90.6 mt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -111.17 123.79 50.91 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 3' ' ' VAL . . . . . 0.549 HG11 HD13 ' G' ' 5' ' ' LEU . 57.8 t -115.72 124.64 72.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -118.33 129.48 55.46 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 5' ' ' LEU . . . . . 0.54 HD11 HD11 ' G' ' 5' ' ' LEU . 72.3 mt -121.77 121.86 38.21 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -138.77 112.7 8.5 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' U' U ' 7' ' ' ILE . . . . . 0.474 HD11 HD13 ' I' ' 1' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.625 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.568 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 81.8 mt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -112.98 123.05 49.42 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -117.71 121.16 66.79 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -119.28 130.23 55.31 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.103 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 5' ' ' LEU . . . . . 0.629 ' C ' HD13 ' W' ' 5' ' ' LEU . 2.7 tm? -121.89 114.45 21.04 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -131.78 117.86 19.14 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.72 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 7' ' ' ILE . . . . . 0.416 HG22 HG12 ' U' ' 7' ' ' ILE . 42.7 pt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.801 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 1' ' ' ILE . . . . . 0.425 HD13 HD11 ' I' ' 7' ' ' ILE . 90.3 mt . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -110.26 123.99 50.8 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 64.7 t -115.61 125.04 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.39 129.81 55.63 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 5' ' ' LEU . . . . . 0.408 HD11 HD11 ' K' ' 5' ' ' LEU . 76.8 mt -120.57 121.66 38.88 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -139.95 111.75 7.41 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 pt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.589 -179.11 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.619 ' O ' HD13 ' C' ' 1' ' ' ILE . 95.7 mt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -115.02 121.99 44.83 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.605 HG11 HD13 ' O' ' 5' ' ' LEU . 42.2 t -119.05 122.43 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.63 130.95 56.15 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.911 HD11 HD11 ' O' ' 5' ' ' LEU . 74.8 mt -122.47 118.14 27.63 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.616 179.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -127.02 105.97 8.96 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.203 -178.908 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ILE . . . . . 0.619 HD13 ' O ' ' A' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -112.68 123.05 49.42 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 176.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.559 HG11 HD22 ' Q' ' 5' ' ' LEU . 70.1 t -116.1 125.44 73.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -118.04 129.37 55.52 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.574 HD22 HG11 ' Q' ' 3' ' ' VAL . 44.3 tp -126.21 124.83 41.3 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.822 0.344 . . . . 0.0 110.733 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -136.45 114.71 11.63 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.102 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.642 ' H ' HD12 ' C' ' 7' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.287 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 1' ' ' ILE . . . . . 0.581 ' O ' HD13 ' G' ' 1' ' ' ILE . 81.1 mt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.88 122.11 46.03 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.601 HG11 HD13 ' S' ' 5' ' ' LEU . 44.1 t -119.11 122.13 68.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.77 130.41 55.78 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.934 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 5' ' ' LEU . . . . . 1.073 HD11 HD11 ' S' ' 5' ' ' LEU . 62.7 mt -122.52 116.89 24.69 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.873 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 6' ' ' GLN . . . . . 0.416 ' O ' HD12 ' C' ' 7' ' ' ILE . 52.2 tt0 -124.86 107.18 10.63 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 7' ' ' ILE . . . . . 0.401 HG12 HD13 ' C' ' 7' ' ' ILE . 4.6 mt . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.351 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 1' ' ' ILE . . . . . 0.581 HD13 ' O ' ' E' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -112.25 123.11 49.57 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.539 -0.864 . . . . 0.0 108.838 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.52 HG11 HD22 ' U' ' 5' ' ' LEU . 63.9 t -116.38 125.12 73.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -118.1 129.31 55.47 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 5' ' ' LEU . . . . . 0.528 HD22 HG11 ' U' ' 3' ' ' VAL . 45.4 tp -126.2 124.59 40.79 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.986 0.422 . . . . 0.0 110.827 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -135.78 111.84 9.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.323 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 7' ' ' ILE . . . . . 0.551 ' H ' HD12 ' G' ' 7' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.335 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 1' ' ' ILE . . . . . 0.529 HG23 HG22 ' G' ' 1' ' ' ILE . 68.5 mt . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -113.46 122.35 47.03 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.618 HG11 HD13 ' W' ' 5' ' ' LEU . 45.8 t -118.98 122.03 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.86 129.75 55.38 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.893 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 5' ' ' LEU . . . . . 1.048 HD11 HD11 ' W' ' 5' ' ' LEU . 58.7 mt -122.26 112.82 18.61 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.052 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 6' ' ' GLN . . . . . 0.481 ' O ' HD12 ' G' ' 7' ' ' ILE . 52.1 tt0 -120.81 106.82 12.03 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.553 -179.53 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' K' K ' 1' ' ' ILE . . . . . 0.441 HD13 ' O ' ' I' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.764 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.86 123.12 49.5 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 62.9 t -116.3 125.49 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -118.09 129.41 55.53 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 5' ' ' LEU . . . . . 0.435 ' HG ' HD11 ' K' ' 7' ' ' ILE . 42.9 tp -126.68 124.52 40.02 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.885 0.374 . . . . 0.0 110.71 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -136.26 109.22 7.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.171 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 7' ' ' ILE . . . . . 0.522 ' H ' HD12 ' K' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.269 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 1' ' ' ILE . . . . . 0.654 ' O ' HD13 ' Q' ' 1' ' ' ILE . 92.3 mt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -115.11 122.11 45.09 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 3' ' ' VAL . . . . . 0.633 HG11 HD13 ' A' ' 5' ' ' LEU . 42.2 t -119.04 122.3 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.53 131.0 56.23 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 5' ' ' LEU . . . . . 0.911 HD11 HD11 ' A' ' 5' ' ' LEU . 76.2 mt -122.29 119.51 31.35 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -127.82 106.66 9.27 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.194 -178.761 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Q' Q ' 1' ' ' ILE . . . . . 0.654 HD13 ' O ' ' O' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -113.11 123.01 49.26 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 176.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 3' ' ' VAL . . . . . 0.574 HG11 HD22 ' C' ' 5' ' ' LEU . 63.9 t -116.44 125.52 73.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.13 129.51 55.57 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 5' ' ' LEU . . . . . 0.559 HD22 HG11 ' C' ' 3' ' ' VAL . 45.5 tp -126.49 124.73 40.73 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.753 0.311 . . . . 0.0 110.728 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -135.97 116.48 13.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.214 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Q' Q ' 7' ' ' ILE . . . . . 0.632 ' H ' HD12 ' Q' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.234 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 1' ' ' ILE . . . . . 0.594 ' O ' HD13 ' U' ' 1' ' ' ILE . 75.3 mt . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -114.37 122.25 46.08 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 3' ' ' VAL . . . . . 0.667 HG11 HD13 ' E' ' 5' ' ' LEU . 43.1 t -119.28 122.22 68.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 177.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.64 130.65 55.98 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.775 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 5' ' ' LEU . . . . . 1.073 HD11 HD11 ' E' ' 5' ' ' LEU . 65.1 mt -122.35 116.9 24.85 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.815 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -125.29 106.92 10.21 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 mt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.222 -179.175 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' U' U ' 1' ' ' ILE . . . . . 0.594 HD13 ' O ' ' S' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -112.34 122.84 48.87 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 119.647 -0.821 . . . . 0.0 108.846 175.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 3' ' ' VAL . . . . . 0.528 HG11 HD22 ' G' ' 5' ' ' LEU . 65.2 t -116.58 125.52 73.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -118.06 129.48 55.58 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 5' ' ' LEU . . . . . 0.52 HD22 HG11 ' G' ' 3' ' ' VAL . 46.1 tp -126.35 123.79 38.8 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.904 0.383 . . . . 0.0 110.78 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -134.96 112.44 10.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.343 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' U' U ' 7' ' ' ILE . . . . . 0.561 ' H ' HD12 ' U' ' 7' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.305 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 1' ' ' ILE . . . . . 0.521 HG23 HG22 ' U' ' 1' ' ' ILE . 70.6 mt . . . . . 0 N--CA 1.493 1.711 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -113.6 122.39 47.08 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 3' ' ' VAL . . . . . 0.685 HG11 HD13 ' I' ' 5' ' ' LEU . 44.5 t -119.16 122.08 68.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.45 129.83 55.61 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 118.312 0.505 . . . . 0.0 111.719 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 5' ' ' LEU . . . . . 1.048 HD11 HD11 ' I' ' 5' ' ' LEU . 62.6 mt -122.39 112.37 18.0 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.087 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 6' ' ' GLN . . . . . 0.495 ' O ' HD12 ' U' ' 7' ' ' ILE . 52.3 tt0 -120.76 107.22 12.49 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 mt . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.517 -179.437 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Y' Y ' 1' ' ' ILE . . . . . 0.448 HD13 ' O ' ' W' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -110.4 122.71 48.36 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 67.4 t -116.43 125.87 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -118.21 129.9 55.76 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 5' ' ' LEU . . . . . 0.402 ' HG ' HD11 ' Y' ' 7' ' ' ILE . 43.3 tp -126.56 123.99 38.96 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.891 0.377 . . . . 0.0 110.823 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -135.82 108.97 7.72 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.05 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 7' ' ' ILE . . . . . 0.522 ' H ' HD12 ' Y' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.22 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -113.15 122.86 48.79 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.7 t -117.88 122.23 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.54 131.32 56.22 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 120.607 0.241 . . . . 0.0 111.18 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.471 HD12 ' CG1' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -137.32 112.87 9.41 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.333 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -112.43 113.44 25.63 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.471 ' CG1' HD12 ' A' ' 5' ' ' LEU . 6.3 mt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.016 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.81 124.63 52.39 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -114.83 125.28 72.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -118.07 129.23 55.44 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.48 ' HB3' HD22 ' E' ' 5' ' ' LEU . 0.0 OUTLIER -138.12 119.26 14.5 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.932 0.396 . . . . 0.0 110.036 -179.263 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -120.87 112.23 18.53 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.098 -179.003 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.15 123.25 49.79 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.407 HG11 ' HG ' ' S' ' 5' ' ' LEU . 49.1 t -117.77 121.88 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -118.74 130.4 55.79 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-O 120.885 0.374 . . . . 0.0 111.107 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 5' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' C' ' 5' ' ' LEU . 0.0 OUTLIER -134.91 113.25 11.35 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.793 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -113.92 115.25 27.38 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 7' ' ' ILE . . . . . 0.47 ' CG1' HD12 ' E' ' 5' ' ' LEU . 4.5 mt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.055 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 94.9 mt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -110.13 124.75 52.1 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 65.5 t -114.87 125.3 72.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -117.97 128.73 55.08 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 5' ' ' LEU . . . . . 0.476 ' HB3' HD22 ' I' ' 5' ' ' LEU . 0.0 OUTLIER -136.39 118.6 15.54 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.825 0.345 . . . . 0.0 110.119 -179.079 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -120.85 110.96 16.95 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.193 -179.243 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -113.06 123.54 50.53 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.409 HG11 ' HG ' ' W' ' 5' ' ' LEU . 47.7 t -117.71 122.17 69.16 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -118.53 130.12 55.74 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.29 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 5' ' ' LEU . . . . . 0.48 HD12 ' CG1' ' I' ' 7' ' ' ILE . 0.0 OUTLIER -134.18 112.07 10.8 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.992 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -113.34 116.68 30.07 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 7' ' ' ILE . . . . . 0.48 ' CG1' HD12 ' I' ' 5' ' ' LEU . 4.5 mt . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.218 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 95.1 mt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -107.71 125.3 51.21 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 65.0 t -114.7 125.5 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -118.11 129.37 55.5 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.35 119.2 16.24 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -178.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -122.53 108.57 13.3 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.15 -179.151 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -112.35 123.0 49.33 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 48.0 t -117.93 122.28 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.57 131.19 56.21 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 120.66 0.267 . . . . 0.0 111.135 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 5' ' ' LEU . . . . . 0.459 HD12 ' CG1' ' O' ' 7' ' ' ILE . 0.0 OUTLIER -137.12 112.52 9.27 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.379 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -111.97 113.69 26.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 7' ' ' ILE . . . . . 0.459 ' CG1' HD12 ' O' ' 5' ' ' LEU . 6.0 mt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.088 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 94.3 mt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.83 124.56 52.27 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 68.5 t -114.77 125.27 72.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.18 129.19 55.36 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 5' ' ' LEU . . . . . 0.496 ' HB3' HD22 ' S' ' 5' ' ' LEU . 0.0 OUTLIER -138.22 119.07 14.18 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.174 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -120.51 112.28 18.74 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Q' Q ' 7' ' ' ILE . . . . . 0.403 HD13 HG21 ' Q' ' 7' ' ' ILE . 7.3 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.08 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.34 123.33 49.86 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 3' ' ' VAL . . . . . 0.418 HG11 ' HG ' ' E' ' 5' ' ' LEU . 47.9 t -117.89 121.95 68.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -118.69 130.35 55.79 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-O 120.849 0.357 . . . . 0.0 111.052 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 5' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' Q' ' 5' ' ' LEU . 0.0 OUTLIER -134.86 112.8 10.97 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.76 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -113.42 115.54 28.22 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 7' ' ' ILE . . . . . 0.475 ' CG1' HD12 ' S' ' 5' ' ' LEU . 4.7 mt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.007 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 93.3 mt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.17 124.81 52.23 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 67.2 t -114.93 125.4 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -118.0 128.78 55.12 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 5' ' ' LEU . . . . . 0.472 ' HB3' HD22 ' W' ' 5' ' ' LEU . 0.0 OUTLIER -136.67 118.46 15.1 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.889 0.376 . . . . 0.0 110.114 -179.139 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -120.63 111.21 17.36 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.234 -179.291 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -113.17 123.54 50.46 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 3' ' ' VAL . . . . . 0.411 HG11 ' HG ' ' I' ' 5' ' ' LEU . 47.2 t -117.62 122.15 69.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -118.48 129.94 55.66 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.185 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 5' ' ' LEU . . . . . 0.487 HD12 ' CG1' ' W' ' 7' ' ' ILE . 0.0 OUTLIER -134.15 111.92 10.7 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.028 179.721 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -113.15 116.89 30.54 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 7' ' ' ILE . . . . . 0.487 ' CG1' HD12 ' W' ' 5' ' ' LEU . 4.4 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.12 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -107.6 125.06 50.85 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 67.1 t -114.71 125.42 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -117.87 129.62 55.76 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.6 119.86 16.76 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.798 0.333 . . . . 0.0 110.203 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -122.83 108.7 13.3 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.085 -0.96 . . . . 0.0 110.086 -179.131 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.501 HG21 HD12 ' O' ' 7' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.527 0.68 . . . . 0.0 109.446 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -113.9 122.66 47.68 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.432 HG21 ' CD2' ' O' ' 5' ' ' LEU . 62.5 t -118.02 121.77 68.09 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.53 131.56 56.22 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 120.662 0.268 . . . . 0.0 111.179 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.436 ' CD2' HG21 ' O' ' 3' ' ' VAL . 63.1 tp -120.11 121.51 39.0 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.312 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -129.39 116.72 19.46 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 177.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.495 HD12 HG21 ' O' ' 1' ' ' ILE . 48.5 pt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.893 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -111.79 123.89 51.2 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.635 HG11 HD13 ' Q' ' 5' ' ' LEU . 58.5 t -115.7 125.09 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 177.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.98 130.19 55.56 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.654 HD13 HG11 ' Q' ' 3' ' ' VAL . 73.1 mt -121.83 125.22 45.99 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -138.32 115.74 11.2 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.51 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 1' ' ' ILE . . . . . 0.438 HG21 HD12 ' S' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.368 0.604 . . . . 0.0 109.557 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -114.18 122.58 47.24 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.04 121.23 66.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.8 131.4 56.1 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-O 120.583 0.23 . . . . 0.0 111.216 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 5' ' ' LEU . . . . . 0.403 HD11 ' CG2' ' E' ' 7' ' ' ILE . 62.8 tp -120.02 121.72 39.55 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.087 0.47 . . . . 0.0 110.828 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.8 116.34 18.58 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 7' ' ' ILE . . . . . 0.431 HD12 HG21 ' S' ' 1' ' ' ILE . 44.5 pt . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.959 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -111.23 124.08 51.5 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.614 HG11 HD13 ' U' ' 5' ' ' LEU . 57.7 t -115.54 125.04 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.8 129.96 55.52 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 5' ' ' LEU . . . . . 0.624 HD13 HG11 ' U' ' 3' ' ' VAL . 73.0 mt -121.53 124.35 44.18 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.767 0.318 . . . . 0.0 110.145 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -137.54 115.55 11.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.544 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -114.0 122.64 47.55 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 61.0 t -118.09 121.22 66.74 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -119.0 131.34 56.0 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.512 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 5' ' ' LEU . . . . . 0.408 HD11 ' CG2' ' I' ' 7' ' ' ILE . 61.7 tp -119.76 121.2 38.64 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.023 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.43 115.37 17.4 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 7' ' ' ILE . . . . . 0.408 ' CG2' HD11 ' I' ' 5' ' ' LEU . 39.6 pt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.076 -0.964 . . . . 0.0 111.023 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -109.03 124.42 50.7 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.492 HG11 HD13 ' Y' ' 5' ' ' LEU . 62.6 t -115.18 124.97 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -118.77 130.02 55.56 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 5' ' ' LEU . . . . . 0.491 HD13 HG11 ' Y' ' 3' ' ' VAL . 76.5 mt -120.66 123.48 42.88 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.846 0.355 . . . . 0.0 110.409 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -137.5 115.79 11.82 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.452 -178.727 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' O' O ' 1' ' ' ILE . . . . . 0.495 HG21 HD12 ' A' ' 7' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.487 0.661 . . . . 0.0 109.485 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -113.87 122.59 47.48 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 3' ' ' VAL . . . . . 0.436 HG21 ' CD2' ' A' ' 5' ' ' LEU . 62.5 t -117.98 121.76 68.08 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.46 131.53 56.26 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-O 120.655 0.264 . . . . 0.0 111.216 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 5' ' ' LEU . . . . . 0.432 ' CD2' HG21 ' A' ' 3' ' ' VAL . 62.9 tp -120.1 121.55 39.09 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.307 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -129.39 116.68 19.39 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 7' ' ' ILE . . . . . 0.501 HD12 HG21 ' A' ' 1' ' ' ILE . 48.6 pt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.92 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -111.77 123.93 51.28 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 3' ' ' VAL . . . . . 0.654 HG11 HD13 ' C' ' 5' ' ' LEU . 58.4 t -115.71 125.03 72.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.87 130.26 55.64 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 5' ' ' LEU . . . . . 0.635 HD13 HG11 ' C' ' 3' ' ' VAL . 73.7 mt -121.88 125.24 45.98 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -138.32 115.77 11.23 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.471 0.585 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.496 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 1' ' ' ILE . . . . . 0.431 HG21 HD12 ' E' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.334 0.587 . . . . 0.0 109.512 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -114.16 122.61 47.34 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.08 121.27 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.83 131.43 56.08 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 120.553 0.216 . . . . 0.0 111.15 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 5' ' ' LEU . . . . . 0.401 HD11 ' CG2' ' S' ' 7' ' ' ILE . 63.0 tp -120.0 121.68 39.48 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.018 0.437 . . . . 0.0 110.831 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.83 116.34 18.56 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 7' ' ' ILE . . . . . 0.438 HD12 HG21 ' E' ' 1' ' ' ILE . 44.8 pt . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.927 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -111.18 124.1 51.52 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 3' ' ' VAL . . . . . 0.624 HG11 HD13 ' G' ' 5' ' ' LEU . 57.7 t -115.49 125.07 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -118.83 130.05 55.55 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 5' ' ' LEU . . . . . 0.614 HD13 HG11 ' G' ' 3' ' ' VAL . 72.9 mt -121.59 124.33 44.1 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 120.774 0.321 . . . . 0.0 110.146 179.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -137.53 115.51 11.56 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.571 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 1' ' ' ILE . . . . . 0.405 HG21 HD12 ' I' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -113.95 122.71 47.8 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 60.1 t -118.12 121.27 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.93 131.26 56.03 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.36 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 5' ' ' LEU . . . . . 0.407 HD11 ' CG2' ' W' ' 7' ' ' ILE . 61.9 tp -119.91 121.04 38.15 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.058 0.456 . . . . 0.0 110.99 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.36 115.44 17.55 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 7' ' ' ILE . . . . . 0.407 ' CG2' HD11 ' W' ' 5' ' ' LEU . 39.9 pt . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.993 -1.003 . . . . 0.0 111.035 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -108.92 124.46 50.71 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 3' ' ' VAL . . . . . 0.491 HG11 HD13 ' K' ' 5' ' ' LEU . 61.5 t -115.19 124.96 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -118.68 130.04 55.62 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 5' ' ' LEU . . . . . 0.492 HD13 HG11 ' K' ' 3' ' ' VAL . 76.1 mt -120.69 123.43 42.73 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 120.815 0.34 . . . . 0.0 110.389 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -137.48 115.99 12.01 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.454 -178.714 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.403 ' CD1' HD12 ' O' ' 7' ' ' ILE . 95.8 mt . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -113.46 122.79 48.36 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.4 t -118.32 122.77 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.16 131.58 56.39 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 121.023 0.439 . . . . 0.0 112.129 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.516 HD11 ' CG2' ' A' ' 7' ' ' ILE . 48.9 tp -118.68 121.71 40.77 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.489 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -137.77 107.15 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.516 ' CG2' HD11 ' A' ' 5' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.468 0.437 0 CA-C-O 117.887 -1.054 . . . . 0.0 109.939 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ILE . . . . . 0.446 HD13 HD11 ' O' ' 7' ' ' ILE . 91.1 mt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -111.36 123.96 51.27 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 67.1 t -115.55 125.31 72.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.13 128.96 55.24 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.658 HD11 HD11 ' Q' ' 5' ' ' LEU . 18.7 mt -123.75 111.54 16.27 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.392 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -127.38 115.2 18.58 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 pt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.111 -0.947 . . . . 0.0 110.283 -179.347 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.51 122.82 48.42 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -118.35 122.14 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -118.53 130.77 56.1 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 5' ' ' LEU . . . . . 0.512 HD11 ' CG2' ' E' ' 7' ' ' ILE . 51.2 tp -117.81 120.77 38.92 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.234 178.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -136.57 107.46 6.66 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 7' ' ' ILE . . . . . 0.544 HD11 HD13 ' U' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.469 0.505 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.837 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 1' ' ' ILE . . . . . 0.543 HD13 HD11 ' S' ' 7' ' ' ILE . 87.9 mt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.46 124.11 51.15 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 74.1 t -115.36 125.27 72.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.583 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -117.96 128.74 55.09 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 5' ' ' LEU . . . . . 0.599 HD11 HD11 ' U' ' 5' ' ' LEU . 23.2 mt -122.76 111.05 16.24 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.523 -178.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -126.93 115.69 19.66 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.315 0.578 . . . . 0.0 109.467 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 pt . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.325 -179.198 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -113.1 122.78 48.57 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -118.25 122.0 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -118.45 130.7 56.1 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 5' ' ' LEU . . . . . 0.507 HD11 ' CG2' ' I' ' 7' ' ' ILE . 53.4 tp -117.5 119.4 34.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.325 178.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -135.17 106.97 6.99 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 7' ' ' ILE . . . . . 0.539 HD11 HD13 ' Y' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.241 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 1' ' ' ILE . . . . . 0.52 HD13 HD11 ' W' ' 7' ' ' ILE . 89.4 mt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -107.72 124.28 49.78 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 86.1 t -115.2 125.48 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -117.81 128.84 55.25 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 5' ' ' LEU . . . . . 0.418 HD11 HD11 ' Y' ' 5' ' ' LEU . 42.2 mt -121.3 111.31 17.2 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.598 0.237 . . . . 0.0 110.557 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -128.62 114.29 16.49 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 46.2 pt . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.497 -179.105 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' O' O ' 1' ' ' ILE . . . . . 0.42 ' CD1' HD12 ' A' ' 7' ' ' ILE . 95.8 mt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -113.59 122.81 48.35 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -118.17 122.68 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.19 131.51 56.38 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-O 120.948 0.404 . . . . 0.0 112.021 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 5' ' ' LEU . . . . . 0.501 HD11 ' CG2' ' O' ' 7' ' ' ILE . 50.6 tp -118.78 121.88 41.11 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.561 178.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -137.65 107.14 6.15 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 7' ' ' ILE . . . . . 0.501 ' CG2' HD11 ' O' ' 5' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.511 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.034 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 1' ' ' ILE . . . . . 0.474 HD13 HD11 ' A' ' 7' ' ' ILE . 89.1 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -111.55 123.99 51.36 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 67.4 t -115.49 125.35 72.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -118.15 128.95 55.21 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 5' ' ' LEU . . . . . 0.658 HD11 HD11 ' C' ' 5' ' ' LEU . 18.5 mt -123.77 111.3 15.98 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 121.135 -0.226 . . . . 0.0 110.443 -178.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -127.07 114.65 18.03 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 pt . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.235 -179.368 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -113.72 122.83 48.31 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t -118.33 122.05 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -118.5 130.8 56.13 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 5' ' ' LEU . . . . . 0.504 HD11 ' CG2' ' S' ' 7' ' ' ILE . 52.8 tp -117.97 120.66 38.51 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.207 178.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -136.48 107.33 6.64 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 7' ' ' ILE . . . . . 0.543 HD11 HD13 ' G' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.91 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' U' U ' 1' ' ' ILE . . . . . 0.544 HD13 HD11 ' E' ' 7' ' ' ILE . 86.8 mt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.29 123.89 50.64 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -115.27 125.17 72.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -118.02 128.7 55.03 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 5' ' ' LEU . . . . . 0.599 HD11 HD11 ' G' ' 5' ' ' LEU . 22.8 mt -122.98 110.61 15.59 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.541 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -126.37 115.75 20.12 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 45.8 pt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.397 -179.3 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -113.26 122.89 48.82 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -118.2 122.07 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -118.4 130.53 56.04 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 5' ' ' LEU . . . . . 0.509 HD11 ' CG2' ' W' ' 7' ' ' ILE . 51.9 tp -117.71 119.23 34.3 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.313 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -135.14 106.99 7.01 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 7' ' ' ILE . . . . . 0.52 HD11 HD13 ' K' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.413 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 1' ' ' ILE . . . . . 0.539 HD13 HD11 ' I' ' 7' ' ' ILE . 86.3 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -107.73 124.13 49.56 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 82.3 t -115.37 125.61 72.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -117.88 129.07 55.41 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 5' ' ' LEU . . . . . 0.418 HD11 HD11 ' K' ' 5' ' ' LEU . 43.4 mt -121.4 110.78 16.5 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.622 0.249 . . . . 0.0 110.495 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -128.15 114.12 16.6 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 46.7 pt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.34 -179.012 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -113.63 123.71 50.58 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.39 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.8 122.75 70.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.6 130.99 56.19 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 120.63 0.253 . . . . 0.0 110.886 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.66 108.99 7.81 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.845 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -106.46 111.54 24.15 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.8 mt . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.237 -179.421 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -111.33 123.08 49.48 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.439 HG23 ' O ' ' C' ' 3' ' ' VAL . 34.9 m -116.59 125.69 73.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -118.62 129.48 55.34 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.414 ' HB2' HD22 ' E' ' 5' ' ' LEU . 4.3 mp -135.59 128.9 32.04 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.805 0.336 . . . . 0.0 110.538 178.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -122.84 109.5 14.26 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.629 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 76.9 mt . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.36 179.872 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.56 124.29 52.0 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.64 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.417 HG11 ' HG ' ' S' ' 5' ' ' LEU . 45.4 t -117.79 122.7 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.45 130.56 56.03 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 120.95 0.405 . . . . 0.0 110.95 176.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 5' ' ' LEU . . . . . 0.425 ' HG ' HG11 ' S' ' 3' ' ' VAL . 0.0 OUTLIER -135.18 107.7 7.37 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.944 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -106.93 113.48 26.99 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.674 -0.41 . . . . 0.0 109.998 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 24.3 mt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.21 -179.235 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 93.2 mt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -110.91 123.37 50.02 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.424 ' O ' HG23 ' G' ' 3' ' ' VAL . 34.8 m -115.98 126.09 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 176.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -118.53 129.43 55.35 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 5' ' ' LEU . . . . . 0.473 ' HB2' HD22 ' I' ' 5' ' ' LEU . 4.5 mp -135.92 128.49 30.64 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.702 0.287 . . . . 0.0 110.548 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -122.46 109.16 14.02 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.836 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 79.3 mt . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.442 179.866 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 93.7 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -113.84 124.25 51.78 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.053 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.498 HG11 ' HG ' ' W' ' 5' ' ' LEU . 42.8 t -117.75 122.59 70.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.484 177.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.39 130.17 55.83 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-O 120.961 0.41 . . . . 0.0 111.082 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 5' ' ' LEU . . . . . 0.484 ' HG ' HG11 ' W' ' 3' ' ' VAL . 0.0 OUTLIER -134.92 107.12 7.18 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.812 179.692 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -106.51 113.99 27.83 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.117 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.259 -179.257 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 89.1 mt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -110.09 124.72 52.0 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.459 ' O ' HG23 ' K' ' 3' ' ' VAL . 35.9 m -115.5 125.82 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -118.31 129.58 55.53 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -136.12 127.53 28.49 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.534 0.207 . . . . 0.0 110.538 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -122.12 107.55 12.31 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 79.5 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.348 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.51 123.77 50.8 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -117.7 122.75 70.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.26 130.91 56.33 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 120.743 0.306 . . . . 0.0 110.993 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 5' ' ' LEU . . . . . 0.407 ' HA ' HD13 ' O' ' 5' ' ' LEU . 0.0 OUTLIER -135.75 110.11 8.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.712 179.673 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -108.19 111.02 22.8 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.226 -179.342 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -110.94 122.91 49.07 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 3' ' ' VAL . . . . . 0.434 HG23 ' O ' ' Q' ' 3' ' ' VAL . 34.8 m -116.39 126.0 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 176.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -118.66 129.76 55.48 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 5' ' ' LEU . . . . . 0.44 ' HB2' HD22 ' S' ' 5' ' ' LEU . 4.3 mp -136.49 127.46 27.66 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.805 0.336 . . . . 0.0 110.626 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -121.69 109.56 14.88 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.672 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.378 179.796 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -113.55 124.11 51.58 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.094 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 3' ' ' VAL . . . . . 0.425 HG11 ' HG ' ' E' ' 5' ' ' LEU . 44.2 t -117.76 122.67 70.33 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.036 178.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.91 130.21 55.6 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-O 120.887 0.375 . . . . 0.0 110.862 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 5' ' ' LEU . . . . . 0.44 HD22 ' HB2' ' Q' ' 5' ' ' LEU . 0.0 OUTLIER -134.32 108.62 8.31 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.872 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -107.62 113.03 26.05 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.278 -179.248 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 93.0 mt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -110.74 123.38 49.93 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' U' U ' 3' ' ' VAL . . . . . 0.429 ' O ' HG23 ' U' ' 3' ' ' VAL . 34.8 m -116.1 125.71 73.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 176.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -118.13 129.43 55.53 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' U' U ' 5' ' ' LEU . . . . . 0.47 ' HB2' HD22 ' W' ' 5' ' ' LEU . 4.5 mp -135.92 127.48 28.79 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.742 0.306 . . . . 0.0 110.711 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -121.57 109.15 14.44 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.849 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--O 1.222 -0.367 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.417 179.8 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 94.1 mt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -113.5 124.02 51.39 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 3' ' ' VAL . . . . . 0.484 HG11 ' HG ' ' I' ' 5' ' ' LEU . 44.6 t -117.8 122.36 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.31 177.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.54 130.44 55.91 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 120.925 0.393 . . . . 0.0 111.002 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 5' ' ' LEU . . . . . 0.498 ' HG ' HG11 ' I' ' 3' ' ' VAL . 0.0 OUTLIER -135.77 107.1 6.82 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.922 179.734 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -106.75 114.16 28.09 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.218 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.236 -179.286 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -110.09 124.68 51.94 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 3' ' ' VAL . . . . . 0.449 HG23 ' O ' ' Y' ' 3' ' ' VAL . 35.3 m -115.55 125.78 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.26 129.65 55.59 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -136.14 127.82 28.98 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 121.232 -0.187 . . . . 0.0 110.571 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -122.76 106.98 11.4 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 81.3 mt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.335 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.419 HG21 HD13 ' O' ' 7' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.529 0.681 . . . . 0.0 109.922 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -113.72 123.37 49.72 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.539 HG11 HD13 ' O' ' 5' ' ' LEU . 65.7 t -117.35 122.07 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.46 131.21 56.27 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 120.453 0.168 . . . . 0.0 110.718 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.448 HD11 HD11 ' O' ' 5' ' ' LEU . 53.3 mt -115.75 111.47 20.6 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -126.52 105.57 8.84 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.809 ' O ' HD12 ' A' ' 7' ' ' ILE . 1.5 pp . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.115 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 89.5 mt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -111.72 122.75 48.64 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 60.0 t -116.5 125.44 73.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.31 130.05 55.81 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.5 HD23 ' N ' ' C' ' 6' ' ' GLN . 1.5 tt -115.93 117.15 29.35 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 6' ' ' GLN . . . . . 0.5 ' N ' HD23 ' C' ' 5' ' ' LEU . 51.0 tt0 -137.54 120.47 16.5 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.251 0.548 . . . . 0.0 110.674 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pt . . . . . 0 N--CA 1.471 0.605 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.729 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 1' ' ' ILE . . . . . 0.545 HG21 HD13 ' S' ' 7' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.48 0.657 . . . . 0.0 109.962 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -114.38 123.29 49.1 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.846 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 75.4 t -117.58 121.8 68.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.67 131.11 56.16 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.0 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 5' ' ' LEU . . . . . 0.474 HD11 HD11 ' S' ' 5' ' ' LEU . 43.8 mt -114.94 113.4 24.09 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.448 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -129.44 105.24 7.96 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.605 0.717 . . . . 0.0 109.334 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 7' ' ' ILE . . . . . 0.818 ' O ' HD12 ' E' ' 7' ' ' ILE . 1.3 pp . . . . . 0 C--O 1.218 -0.584 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.911 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 1' ' ' ILE . . . . . 0.568 HD13 HD11 ' S' ' 7' ' ' ILE . 86.9 mt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -111.29 123.08 49.49 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -116.28 125.4 73.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -118.03 129.83 55.81 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 5' ' ' LEU . . . . . 0.49 HD23 ' N ' ' G' ' 6' ' ' GLN . 1.5 tt -115.27 116.8 28.91 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 6' ' ' GLN . . . . . 0.49 ' N ' HD23 ' G' ' 5' ' ' LEU . 50.6 tt0 -137.7 119.42 15.11 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.458 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 7' ' ' ILE . . . . . 0.417 HD11 ' HB ' ' I' ' 7' ' ' ILE . 1.9 pt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 1' ' ' ILE . . . . . 0.508 HG21 HD13 ' W' ' 7' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.258 0.551 . . . . 0.0 109.826 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -114.4 123.43 49.44 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.978 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 98.2 t -117.72 121.89 68.51 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -118.6 130.92 56.15 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.306 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 5' ' ' LEU . . . . . 0.445 HD11 HD11 ' W' ' 5' ' ' LEU . 43.5 mt -114.38 112.72 23.5 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.835 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -129.46 104.85 7.71 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 121.587 0.708 . . . . 0.0 109.638 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 7' ' ' ILE . . . . . 0.838 ' O ' HD12 ' I' ' 7' ' ' ILE . 1.3 pp . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.903 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 1' ' ' ILE . . . . . 0.669 HD13 HD11 ' W' ' 7' ' ' ILE . 89.6 mt . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -107.84 123.88 49.25 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 57.9 t -115.71 125.46 72.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -117.97 129.89 55.87 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 5' ' ' LEU . . . . . 0.467 HD23 ' N ' ' K' ' 6' ' ' GLN . 1.5 tt -114.61 115.5 27.26 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 6' ' ' GLN . . . . . 0.467 ' N ' HD23 ' K' ' 5' ' ' LEU . 50.5 tt0 -138.01 119.64 15.05 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.205 0.526 . . . . 0.0 110.343 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 pt . . . . . 0 C--O 1.222 -0.393 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.601 -179.337 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.534 0.683 . . . . 0.0 109.834 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -113.75 123.45 49.88 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 3' ' ' VAL . . . . . 0.408 HG11 HD13 ' A' ' 5' ' ' LEU . 67.0 t -117.23 122.11 69.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.5 131.3 56.25 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 120.558 0.218 . . . . 0.0 110.62 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 5' ' ' LEU . . . . . 0.539 HD13 HG11 ' A' ' 3' ' ' VAL . 58.0 mt -116.3 110.2 18.41 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -125.17 106.15 9.68 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 7' ' ' ILE . . . . . 0.817 ' O ' HD12 ' O' ' 7' ' ' ILE . 1.6 pp . . . . . 0 N--CA 1.47 0.554 0 CA-C-O 117.93 -1.033 . . . . 0.0 111.195 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 1' ' ' ILE . . . . . 0.474 HD13 HD11 ' A' ' 7' ' ' ILE . 85.7 mt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -111.78 122.99 49.29 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 60.9 t -116.7 125.44 73.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -118.16 130.3 56.02 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Q' Q ' 5' ' ' LEU . . . . . 0.49 HD23 ' N ' ' Q' ' 6' ' ' GLN . 1.5 tt -116.59 115.84 26.47 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 6' ' ' GLN . . . . . 0.49 ' N ' HD23 ' Q' ' 5' ' ' LEU . 51.0 tt0 -136.08 120.88 18.53 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.165 0.507 . . . . 0.0 110.539 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 N--CA 1.471 0.589 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.722 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' S' S ' 1' ' ' ILE . . . . . 0.561 HG21 HD13 ' E' ' 7' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 121.537 0.684 . . . . 0.0 109.949 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -114.54 123.4 49.29 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.936 177.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 79.9 t -117.47 121.86 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.56 131.12 56.21 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.903 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 5' ' ' LEU . . . . . 0.474 HD11 HD11 ' E' ' 5' ' ' LEU . 45.2 mt -115.34 112.7 22.77 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.637 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -128.87 105.4 8.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.56 0.695 . . . . 0.0 109.23 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 7' ' ' ILE . . . . . 0.827 ' O ' HD12 ' S' ' 7' ' ' ILE . 1.3 pp . . . . . 0 C--O 1.218 -0.589 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.88 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' U' U ' 1' ' ' ILE . . . . . 0.626 HD13 HD11 ' E' ' 7' ' ' ILE . 84.4 mt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -110.99 123.29 49.9 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -116.33 125.44 73.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -117.88 130.0 55.98 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' U' U ' 5' ' ' LEU . . . . . 0.49 HD23 ' N ' ' U' ' 6' ' ' GLN . 1.4 tt -115.82 116.0 27.25 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' U' U ' 6' ' ' GLN . . . . . 0.49 ' N ' HD23 ' U' ' 5' ' ' LEU . 50.5 tt0 -137.24 119.64 15.83 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.131 0.491 . . . . 0.0 110.456 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 N--CA 1.469 0.498 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.79 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' W' W ' 1' ' ' ILE . . . . . 0.562 HG21 HD13 ' I' ' 7' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.255 0.55 . . . . 0.0 109.816 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -114.39 123.57 49.8 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.248 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 97.4 t -117.53 121.94 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -118.44 131.02 56.28 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.147 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 5' ' ' LEU . . . . . 0.445 HD11 HD11 ' I' ' 5' ' ' LEU . 43.9 mt -114.73 111.99 22.13 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.665 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -129.11 104.58 7.64 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 121.653 0.739 . . . . 0.0 109.382 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 7' ' ' ILE . . . . . 0.841 ' O ' HD12 ' W' ' 7' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.218 -0.561 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.473 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 1' ' ' ILE . . . . . 0.595 HD13 HD11 ' I' ' 7' ' ' ILE . 90.1 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -107.76 123.78 49.05 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -115.96 125.46 73.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -117.85 130.09 56.05 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 5' ' ' LEU . . . . . 0.46 HD23 ' N ' ' Y' ' 6' ' ' GLN . 1.5 tt -114.56 116.16 28.34 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Y' Y ' 6' ' ' GLN . . . . . 0.46 ' N ' HD23 ' Y' ' 5' ' ' LEU . 50.6 tt0 -138.58 119.52 14.35 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.278 0.561 . . . . 0.0 110.326 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 pt . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.478 -179.34 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -113.9 123.2 49.19 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.586 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -117.83 120.89 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -120.33 134.46 55.26 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.24 118.9 9.78 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.283 0.563 . . . . 0.0 109.978 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -108.75 112.11 24.23 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.547 ' HB ' HG22 ' C' ' 7' ' ' ILE . 14.5 mm . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.974 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -111.57 123.57 50.5 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -116.08 124.49 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -119.83 130.62 54.99 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' E' ' 5' ' ' LEU . 0.3 OUTLIER -144.54 125.38 14.29 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.744 178.294 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -116.33 113.78 23.42 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.708 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.547 HG22 ' HB ' ' A' ' 7' ' ' ILE . 28.2 pt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.46 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 98.0 mt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -114.34 123.23 48.99 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.016 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 59.2 t -118.16 120.53 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.6 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.63 132.85 55.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 5' ' ' LEU . . . . . 0.437 ' HB3' HD11 ' C' ' 5' ' ' LEU . 0.3 OUTLIER -142.32 121.6 13.08 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.517 0.675 . . . . 0.0 111.016 177.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -110.59 114.35 27.69 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.224 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 7' ' ' ILE . . . . . 0.524 ' HB ' HG22 ' G' ' 7' ' ' ILE . 11.6 mm . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.138 -0.934 . . . . 0.0 109.965 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -110.96 123.76 50.8 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -115.96 124.45 72.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -119.73 130.37 54.96 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 5' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' I' ' 5' ' ' LEU . 0.3 OUTLIER -144.99 126.67 15.2 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.544 0.688 . . . . 0.0 110.92 178.258 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -117.41 114.25 23.25 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.888 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 7' ' ' ILE . . . . . 0.524 HG22 ' HB ' ' E' ' 7' ' ' ILE . 27.5 pt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.602 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 97.6 mt . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -114.21 123.31 49.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.339 -0.391 . . . . 0.0 109.98 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -118.03 120.29 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.72 131.66 54.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 5' ' ' LEU . . . . . 0.483 ' HB3' HD11 ' G' ' 5' ' ' LEU . 0.3 OUTLIER -141.21 122.03 14.42 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.345 0.593 . . . . 0.0 111.072 178.073 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -110.51 114.81 28.53 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.445 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 10.9 mm . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.103 -179.903 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 88.1 mt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -107.79 124.21 49.72 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 69.0 t -115.55 124.77 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -119.47 130.81 55.42 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.0 129.34 17.79 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.04 0.448 . . . . 0.0 110.869 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -121.15 115.87 23.89 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.7 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 32.9 pt . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.244 -179.83 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 97.4 mt . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -113.89 123.3 49.43 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.56 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 62.1 t -117.77 120.91 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 120.369 -0.532 . . . . 0.0 109.71 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -120.41 134.37 55.28 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.34 119.61 10.2 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.34 0.591 . . . . 0.0 110.045 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -108.97 112.23 24.32 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 7' ' ' ILE . . . . . 0.536 ' HB ' HG22 ' Q' ' 7' ' ' ILE . 14.9 mm . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.014 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 93.4 mt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -111.98 123.5 50.39 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -116.13 124.34 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -119.85 130.61 54.96 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.2 126.2 15.42 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.572 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -116.88 114.1 23.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.62 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Q' Q ' 7' ' ' ILE . . . . . 0.536 HG22 ' HB ' ' O' ' 7' ' ' ILE . 26.6 pt . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.417 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 98.0 mt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -114.56 123.4 49.27 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.111 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -118.09 120.44 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.53 176.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.7 132.22 54.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.62 122.34 14.32 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.481 0.658 . . . . 0.0 110.848 178.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -111.14 114.26 27.38 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.192 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 7' ' ' ILE . . . . . 0.533 ' HB ' HG22 ' U' ' 7' ' ' ILE . 11.5 mm . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.936 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 91.9 mt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -111.28 123.87 51.08 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -116.03 124.36 72.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -119.71 130.28 54.93 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' U' U ' 5' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' W' ' 5' ' ' LEU . 0.3 OUTLIER -144.75 126.74 15.48 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.79 178.38 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -117.54 114.09 22.93 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.931 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' U' U ' 7' ' ' ILE . . . . . 0.533 HG22 ' HB ' ' S' ' 7' ' ' ILE . 26.7 pt . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.6 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 97.8 mt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -114.26 123.24 49.06 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.178 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -118.05 119.95 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.65 131.36 54.56 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 5' ' ' LEU . . . . . 0.478 ' HB3' HD11 ' U' ' 5' ' ' LEU . 0.3 OUTLIER -140.82 122.18 14.94 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.406 0.622 . . . . 0.0 111.139 178.326 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -110.89 114.89 28.57 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.459 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 mm . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.037 -179.835 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -107.87 124.15 49.66 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 68.6 t -115.63 124.74 72.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -119.37 130.94 55.59 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.27 128.88 17.11 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.052 0.453 . . . . 0.0 110.962 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -120.68 115.65 23.77 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.703 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 31.9 pt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.27 -179.803 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 97.9 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -113.4 122.11 46.37 Favored 'General case' 0 N--CA 1.436 -1.153 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.538 HG11 HD13 ' O' ' 5' ' ' LEU . 57.6 t -118.86 123.02 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -117.9 131.19 56.56 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 120.837 0.351 . . . . 0.0 111.946 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.668 HD11 HD11 ' O' ' 5' ' ' LEU . 64.9 mt -121.18 110.98 16.84 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -117.76 116.7 27.54 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.107 -178.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 85.1 mt . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.93 123.24 49.76 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 78.8 t -116.06 125.45 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.35 129.65 55.55 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.574 HD21 HD11 ' C' ' 7' ' ' ILE . 46.2 tp -125.98 122.98 37.49 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.756 0.312 . . . . 0.0 110.185 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -130.68 119.26 22.14 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.574 HD11 HD21 ' C' ' 5' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.887 -1.054 . . . . 0.0 109.442 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -113.4 122.06 46.22 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.545 HG11 HD13 ' S' ' 5' ' ' LEU . 61.0 t -119.01 122.57 69.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -118.38 130.72 56.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 118.148 0.431 . . . . 0.0 111.799 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 5' ' ' LEU . . . . . 0.788 HD11 HD11 ' S' ' 5' ' ' LEU . 51.6 mt -120.5 110.58 16.64 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -117.8 117.49 29.46 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.017 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 83.5 mt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -110.32 123.4 49.76 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 66.1 t -115.82 125.48 72.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -118.16 129.72 55.68 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 5' ' ' LEU . . . . . 0.562 HD21 HD11 ' G' ' 7' ' ' ILE . 43.3 tp -126.36 122.62 35.9 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.801 0.334 . . . . 0.0 110.458 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -129.99 118.14 21.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.603 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 7' ' ' ILE . . . . . 0.562 HD11 HD21 ' G' ' 5' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.514 -179.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.81 122.24 46.46 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.536 HG11 HD13 ' W' ' 5' ' ' LEU . 60.2 t -118.85 122.28 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.45 130.72 56.12 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 118.339 0.518 . . . . 0.0 111.931 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 5' ' ' LEU . . . . . 0.84 HD11 HD11 ' W' ' 5' ' ' LEU . 46.2 mt -120.78 109.51 15.25 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.544 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -116.92 117.01 28.53 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 7' ' ' ILE . . . . . 0.402 HD13 HG21 ' I' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.139 -178.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 82.8 mt . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -107.7 123.77 49.01 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 72.4 t -115.6 125.8 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -117.87 129.96 55.96 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 121.199 -0.2 . . . . 0.0 110.462 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 5' ' ' LEU . . . . . 0.423 HD21 HD11 ' K' ' 7' ' ' ILE . 41.2 tp -126.66 123.09 36.76 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.771 0.32 . . . . 0.0 110.649 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -130.91 116.8 18.36 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 7' ' ' ILE . . . . . 0.423 HD11 HD21 ' K' ' 5' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.557 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 98.1 mt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -113.65 122.1 46.14 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 3' ' ' VAL . . . . . 0.54 HG11 HD13 ' A' ' 5' ' ' LEU . 56.9 t -118.81 122.94 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -117.81 131.22 56.6 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.901 0.382 . . . . 0.0 111.927 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 5' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 5' ' ' LEU . 64.6 mt -121.26 111.18 17.05 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -117.84 116.72 27.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 7' ' ' ILE . . . . . 0.41 HD13 HG21 ' O' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.118 -178.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 85.5 mt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -110.96 123.23 49.76 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 82.2 t -116.06 125.58 73.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -118.37 129.77 55.62 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 5' ' ' LEU . . . . . 0.586 HD21 HD11 ' Q' ' 7' ' ' ILE . 46.5 tp -126.18 123.12 37.52 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -130.96 119.29 21.88 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Q' Q ' 7' ' ' ILE . . . . . 0.586 HD11 HD21 ' Q' ' 5' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.422 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -113.68 122.14 46.24 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 3' ' ' VAL . . . . . 0.54 HG11 HD13 ' E' ' 5' ' ' LEU . 61.2 t -119.11 122.46 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.33 130.7 56.17 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 118.098 0.408 . . . . 0.0 111.733 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 5' ' ' LEU . . . . . 0.788 HD11 HD11 ' E' ' 5' ' ' LEU . 52.4 mt -120.57 110.4 16.4 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.539 179.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -117.63 117.52 29.6 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.918 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 84.0 mt . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -110.52 123.47 50.0 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 70.8 t -115.95 125.49 73.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -118.17 129.63 55.63 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' U' U ' 5' ' ' LEU . . . . . 0.574 HD21 HD11 ' U' ' 7' ' ' ILE . 42.3 tp -126.39 122.63 35.89 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.815 0.34 . . . . 0.0 110.389 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -129.92 118.33 21.5 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' U' U ' 7' ' ' ILE . . . . . 0.574 HD11 HD21 ' U' ' 5' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.603 -179.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.493 1.703 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -113.62 122.49 47.35 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 3' ' ' VAL . . . . . 0.512 HG11 HD13 ' I' ' 5' ' ' LEU . 61.1 t -118.9 122.32 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.42 130.51 56.01 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 118.276 0.489 . . . . 0.0 111.622 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 5' ' ' LEU . . . . . 0.84 HD11 HD11 ' I' ' 5' ' ' LEU . 48.7 mt -120.83 109.87 15.66 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -117.3 117.2 28.87 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.108 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -107.88 123.84 49.21 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 69.3 t -115.7 125.77 72.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -118.05 130.02 55.91 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.369 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 5' ' ' LEU . . . . . 0.442 HD21 HD11 ' Y' ' 7' ' ' ILE . 41.5 tp -126.29 122.99 37.07 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.757 0.313 . . . . 0.0 110.698 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -130.98 116.22 17.54 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 7' ' ' ILE . . . . . 0.442 HD11 HD21 ' Y' ' 5' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.553 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -114.15 122.09 45.75 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 3' ' ' VAL . 27.3 m -119.03 122.5 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.88 130.76 55.91 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 120.771 0.319 . . . . 0.0 111.847 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.602 HD11 HD11 ' O' ' 5' ' ' LEU . 87.4 mt -126.94 116.67 21.15 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -120.03 112.24 18.9 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.1 mm . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.389 -178.899 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -112.31 123.03 49.37 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.532 HG22 HG12 ' E' ' 3' ' ' VAL . 1.9 m -116.44 125.34 73.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 176.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -118.81 129.64 55.34 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.43 HD22 HG21 ' Q' ' 3' ' ' VAL . 4.9 mp -133.38 122.12 23.31 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.095 0.474 . . . . 0.0 110.481 178.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -120.73 115.33 23.11 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 mm . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.402 -179.03 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -114.18 122.41 46.73 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.532 HG12 HG22 ' C' ' 3' ' ' VAL . 33.4 m -119.3 121.85 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.999 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.27 130.29 55.34 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.796 0.331 . . . . 0.0 111.765 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 5' ' ' LEU . . . . . 0.656 HD11 HD11 ' S' ' 5' ' ' LEU . 87.8 mt -126.49 119.08 26.29 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.199 178.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -122.47 113.11 18.88 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 mm . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.365 -179.082 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 89.3 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -111.75 123.4 50.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 120.016 -0.674 . . . . 0.0 109.228 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.447 HG22 HG12 ' I' ' 3' ' ' VAL . 1.9 m -116.22 125.37 73.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 176.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -118.77 129.4 55.23 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 5' ' ' LEU . . . . . 0.422 HD13 ' CD2' ' I' ' 5' ' ' LEU . 5.0 mp -133.09 121.72 23.07 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.812 0.339 . . . . 0.0 110.32 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -120.21 114.5 22.01 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 26.4 mm . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.546 -179.022 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -113.97 122.23 46.32 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.447 HG12 HG22 ' G' ' 3' ' ' VAL . 32.8 m -119.18 121.49 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 C-N-CA 120.269 -0.572 . . . . 0.0 109.904 176.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.51 130.26 55.11 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 120.82 0.343 . . . . 0.0 111.896 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 5' ' ' LEU . . . . . 0.632 HD11 HD11 ' W' ' 5' ' ' LEU . 86.1 mt -125.8 120.16 29.83 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -122.92 112.53 17.95 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 19.3 mm . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.305 -179.016 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.08 124.22 51.1 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.422 ' O ' HG23 ' K' ' 3' ' ' VAL . 2.4 m -115.62 125.24 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 177.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -119.11 129.67 55.17 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.234 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.86 122.57 23.39 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -121.15 112.55 18.81 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 mm . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.555 -178.789 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 121.247 0.546 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.98 122.13 46.0 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 3' ' ' VAL . . . . . 0.466 HG23 ' O ' ' O' ' 3' ' ' VAL . 28.3 m -119.06 122.33 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.89 130.88 55.97 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 120.824 0.345 . . . . 0.0 111.801 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 5' ' ' LEU . . . . . 0.602 HD11 HD11 ' A' ' 5' ' ' LEU . 87.6 mt -127.15 116.85 21.29 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 178.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -120.17 112.22 18.82 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 22.0 mm . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.372 -178.884 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 93.7 mt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -112.57 123.06 49.45 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 3' ' ' VAL . . . . . 0.509 HG22 HG12 ' S' ' 3' ' ' VAL . 2.0 m -116.54 125.34 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -118.79 129.5 55.27 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 5' ' ' LEU . . . . . 0.417 HD13 ' CD2' ' S' ' 5' ' ' LEU . 4.9 mp -133.07 122.18 23.76 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.07 0.462 . . . . 0.0 110.462 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -120.81 115.39 23.19 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 25.3 mm . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.503 -178.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -114.45 122.43 46.58 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 3' ' ' VAL . . . . . 0.509 HG12 HG22 ' Q' ' 3' ' ' VAL . 33.9 m -119.21 121.88 67.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 C-N-CA 120.443 -0.503 . . . . 0.0 109.983 176.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.29 130.25 55.3 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 5' ' ' LEU . . . . . 0.656 HD11 HD11 ' E' ' 5' ' ' LEU . 87.5 mt -126.49 118.77 25.6 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -122.07 113.06 19.01 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 19.8 mm . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.357 -179.125 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 88.9 mt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -111.59 123.45 50.24 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 120.011 -0.675 . . . . 0.0 109.363 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' U' U ' 3' ' ' VAL . . . . . 0.458 HG22 HG12 ' W' ' 3' ' ' VAL . 2.0 m -116.2 125.27 73.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 176.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -118.74 129.45 55.26 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 mp -132.88 122.07 23.84 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.939 0.4 . . . . 0.0 110.428 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -120.62 114.2 21.36 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 26.2 mm . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.504 -178.902 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -113.88 122.54 47.33 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 3' ' ' VAL . . . . . 0.458 HG12 HG22 ' U' ' 3' ' ' VAL . 32.6 m -118.95 121.32 66.56 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.031 176.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.21 130.15 55.34 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 120.72 0.295 . . . . 0.0 111.744 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 5' ' ' LEU . . . . . 0.632 HD11 HD11 ' I' ' 5' ' ' LEU . 86.1 mt -125.92 120.11 29.54 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -122.78 112.6 18.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.397 -179.04 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 85.4 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -109.61 124.22 50.78 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 3' ' ' VAL . . . . . 0.441 HG23 ' O ' ' Y' ' 3' ' ' VAL . 2.5 m -115.47 125.23 72.62 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -119.09 129.73 55.22 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.275 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -134.02 122.59 23.23 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -121.24 112.85 19.13 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.434 -178.87 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 84.5 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.95 122.34 46.66 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.617 HG11 HD21 ' O' ' 5' ' ' LEU . 61.2 t -118.81 123.02 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.473 ' C ' HD12 ' A' ' 5' ' ' LEU . 3.0 t60 -117.94 130.95 56.53 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 120.895 0.379 . . . . 0.0 111.107 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.601 HD21 HG11 ' O' ' 3' ' ' VAL . 9.3 mp -112.35 110.13 20.17 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.607 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -126.68 108.33 10.99 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.3 pt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.88 -178.62 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' ILE . . . . . 0.446 ' CD1' HD12 ' Q' ' 7' ' ' ILE . 84.5 mt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -111.5 123.44 50.22 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.529 HG11 HD21 ' Q' ' 5' ' ' LEU . 61.2 t -116.23 125.72 73.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 4' ' ' HIS . . . . . 0.493 ' C ' HD12 ' C' ' 5' ' ' LEU . 26.8 m170 -118.21 130.03 55.84 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.458 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.57 HD21 HG11 ' Q' ' 3' ' ' VAL . 10.1 mp -114.11 120.81 41.81 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -139.09 110.11 6.81 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.593 HD11 HD13 ' S' ' 1' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.473 0.692 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.404 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 1' ' ' ILE . . . . . 0.592 HD13 HD11 ' Q' ' 7' ' ' ILE . 85.2 mt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.8 122.49 47.21 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.604 HG11 HD21 ' S' ' 5' ' ' LEU . 58.0 t -119.16 122.84 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 176.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 4' ' ' HIS . . . . . 0.467 ' C ' HD12 ' E' ' 5' ' ' LEU . 3.3 t60 -117.8 131.05 56.62 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.313 178.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 5' ' ' LEU . . . . . 0.578 HD21 HG11 ' S' ' 3' ' ' VAL . 9.3 mp -112.01 111.52 22.49 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.365 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -128.88 108.11 10.17 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 40.5 pt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.754 -178.493 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 1' ' ' ILE . . . . . 0.423 HG21 HD11 ' S' ' 7' ' ' ILE . 89.2 mt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -110.93 123.76 50.79 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.48 HG11 HD21 ' U' ' 5' ' ' LEU . 62.0 t -116.0 125.77 73.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 4' ' ' HIS . . . . . 0.489 ' C ' HD12 ' G' ' 5' ' ' LEU . 27.7 m170 -118.17 130.06 55.88 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.5 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 5' ' ' LEU . . . . . 0.498 HD21 HG11 ' U' ' 3' ' ' VAL . 10.3 mp -113.53 120.84 42.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.725 0.297 . . . . 0.0 110.274 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -139.53 109.35 6.33 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.673 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 7' ' ' ILE . . . . . 0.593 HD11 HD13 ' W' ' 1' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.618 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.549 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 1' ' ' ILE . . . . . 0.601 HD13 HD11 ' U' ' 7' ' ' ILE . 84.9 mt . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -113.67 122.8 48.27 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 120.499 -0.48 . . . . 0.0 109.8 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.521 HG11 HD21 ' W' ' 5' ' ' LEU . 61.8 t -119.11 122.95 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 176.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 4' ' ' HIS . . . . . 0.478 ' C ' HD12 ' I' ' 5' ' ' LEU . 3.4 t60 -118.0 131.13 56.51 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.299 178.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 5' ' ' LEU . . . . . 0.539 HD21 HG11 ' W' ' 3' ' ' VAL . 9.5 mp -111.89 111.14 21.88 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.593 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -129.02 107.33 9.52 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 7' ' ' ILE . . . . . 0.421 HD11 HG21 ' Y' ' 1' ' ' ILE . 36.5 pt . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.574 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 1' ' ' ILE . . . . . 0.445 HG21 HD11 ' W' ' 7' ' ' ILE . 93.6 mt . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -109.85 124.12 50.76 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -115.45 125.67 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 4' ' ' HIS . . . . . 0.495 ' C ' HD12 ' K' ' 5' ' ' LEU . 28.8 m170 -117.97 130.05 55.97 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.604 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' K' K ' 5' ' ' LEU . . . . . 0.495 HD12 ' C ' ' K' ' 4' ' ' HIS . 10.3 mp -112.19 122.21 47.11 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.817 0.341 . . . . 0.0 110.459 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -142.48 109.36 5.47 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 pt . . . . . 0 C--O 1.219 -0.551 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.39 -179.031 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -113.83 122.4 46.94 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' O' O ' 3' ' ' VAL . . . . . 0.601 HG11 HD21 ' A' ' 5' ' ' LEU . 60.3 t -118.82 122.98 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' O' O ' 4' ' ' HIS . . . . . 0.458 ' C ' HD12 ' O' ' 5' ' ' LEU . 2.9 t60 -117.81 130.95 56.59 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 120.878 0.37 . . . . 0.0 111.172 178.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' O' O ' 5' ' ' LEU . . . . . 0.617 HD21 HG11 ' A' ' 3' ' ' VAL . 9.2 mp -112.58 108.58 17.72 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.807 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -124.94 108.41 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 50.7 pt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.882 -178.636 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' Q' Q ' 1' ' ' ILE . . . . . 0.453 ' CD1' HD12 ' C' ' 7' ' ' ILE . 87.1 mt . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -111.35 123.4 50.14 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 3' ' ' VAL . . . . . 0.57 HG11 HD21 ' C' ' 5' ' ' LEU . 58.0 t -116.15 125.64 73.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 4' ' ' HIS . . . . . 0.492 ' C ' HD12 ' Q' ' 5' ' ' LEU . 27.0 m170 -118.26 130.15 55.88 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.399 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 5' ' ' LEU . . . . . 0.529 HD21 HG11 ' C' ' 3' ' ' VAL . 10.0 mp -113.99 120.9 42.23 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -139.01 109.8 6.69 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.034 0.445 . . . . 0.0 109.842 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Q' Q ' 7' ' ' ILE . . . . . 0.592 HD11 HD13 ' E' ' 1' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 117.915 -1.04 . . . . 0.0 110.436 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 1' ' ' ILE . . . . . 0.593 HD13 HD11 ' C' ' 7' ' ' ILE . 87.1 mt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -113.58 122.5 47.43 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 3' ' ' VAL . . . . . 0.578 HG11 HD21 ' E' ' 5' ' ' LEU . 57.6 t -119.06 122.75 70.05 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 4' ' ' HIS . . . . . 0.461 ' C ' HD12 ' S' ' 5' ' ' LEU . 3.2 t60 -117.95 131.12 56.54 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.36 178.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 5' ' ' LEU . . . . . 0.604 HD21 HG11 ' E' ' 3' ' ' VAL . 9.2 mp -111.75 112.22 23.74 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.205 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -129.08 107.51 9.64 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 7' ' ' ILE . . . . . 0.423 HD11 HG21 ' G' ' 1' ' ' ILE . 38.9 pt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.949 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' U' U ' 1' ' ' ILE . . . . . 0.405 HD12 HD12 ' G' ' 7' ' ' ILE . 89.5 mt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -110.74 123.79 50.73 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' U' U ' 3' ' ' VAL . . . . . 0.498 HG11 HD21 ' G' ' 5' ' ' LEU . 61.4 t -116.14 125.73 73.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' U' U ' 4' ' ' HIS . . . . . 0.498 ' C ' HD12 ' U' ' 5' ' ' LEU . 27.5 m170 -118.07 130.22 56.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.562 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' U' U ' 5' ' ' LEU . . . . . 0.498 HD12 ' C ' ' U' ' 4' ' ' HIS . 10.2 mp -113.54 121.46 44.3 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.728 0.299 . . . . 0.0 110.398 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -140.1 110.3 6.56 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.874 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' U' U ' 7' ' ' ILE . . . . . 0.601 HD11 HD13 ' I' ' 1' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.475 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 1' ' ' ILE . . . . . 0.593 HD13 HD11 ' G' ' 7' ' ' ILE . 83.9 mt . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -113.57 122.71 48.04 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.945 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 3' ' ' VAL . . . . . 0.539 HG11 HD21 ' I' ' 5' ' ' LEU . 62.7 t -118.91 123.05 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 4' ' ' HIS . . . . . 0.481 ' C ' HD12 ' W' ' 5' ' ' LEU . 3.1 t60 -117.95 130.84 56.45 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.308 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 5' ' ' LEU . . . . . 0.521 HD21 HG11 ' I' ' 3' ' ' VAL . 9.6 mp -111.74 111.61 22.71 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.762 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -129.59 107.81 9.74 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 7' ' ' ILE . . . . . 0.445 HD11 HG21 ' K' ' 1' ' ' ILE . 39.1 pt . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.754 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 1' ' ' ILE . . . . . 0.421 HG21 HD11 ' I' ' 7' ' ' ILE . 92.4 mt . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -109.74 124.07 50.62 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -115.61 125.81 72.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 4' ' ' HIS . . . . . 0.495 ' C ' HD12 ' Y' ' 5' ' ' LEU . 27.8 m170 -118.01 130.39 56.15 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.507 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Y' Y ' 5' ' ' LEU . . . . . 0.495 HD12 ' C ' ' Y' ' 4' ' ' HIS . 10.4 mp -112.4 122.23 47.11 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.746 0.308 . . . . 0.0 110.318 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -142.51 109.91 5.69 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 pt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.337 -179.038 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.457 HD12 ' CG2' ' O' ' 7' ' ' ILE . 97.2 mt . . . . . 0 N--CA 1.494 1.727 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -113.02 122.77 48.6 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.413 HG11 ' CD1' ' O' ' 5' ' ' LEU . 61.0 t -118.64 122.83 70.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.458 178.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.26 131.49 56.35 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 120.546 0.212 . . . . 0.0 111.529 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.433 HD11 HD11 ' O' ' 5' ' ' LEU . 24.7 mt -129.94 127.52 40.25 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.845 0.355 . . . . 0.0 110.777 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -130.41 106.58 8.64 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.48 -0.934 . . . . 0.0 108.48 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.436 ' CG2' HD12 ' O' ' 1' ' ' ILE . 54.7 mt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.817 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -111.15 122.91 49.08 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.555 HG12 HD11 ' C' ' 5' ' ' LEU . 18.3 t -116.53 125.75 73.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -118.27 129.1 55.27 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.555 HD11 HG12 ' C' ' 3' ' ' VAL . 2.7 mp -132.74 121.21 22.72 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.098 0.475 . . . . 0.0 111.99 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -122.19 106.99 11.64 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.185 177.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.754 HD13 ' H ' ' C' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.559 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 1' ' ' ILE . . . . . 0.476 HD12 ' CG2' ' S' ' 7' ' ' ILE . 96.3 mt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -112.47 122.96 49.19 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -118.9 122.43 69.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.466 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.54 131.13 56.23 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 120.594 0.235 . . . . 0.0 111.609 178.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 19.5 mt -129.97 125.48 35.49 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.611 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -129.29 104.92 7.79 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 7' ' ' ILE . . . . . 0.47 ' CG2' HD12 ' S' ' 1' ' ' ILE . 51.2 mt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.892 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 77.9 mt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -110.21 122.79 48.48 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.531 HG12 HD11 ' G' ' 5' ' ' LEU . 19.1 t -116.33 125.69 73.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -117.94 128.89 55.24 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 5' ' ' LEU . . . . . 0.531 HD11 HG12 ' G' ' 3' ' ' VAL . 2.8 mp -132.23 121.18 23.24 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.176 0.512 . . . . 0.0 111.931 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -122.48 105.69 10.37 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.388 177.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 7' ' ' ILE . . . . . 0.743 ' H ' HD13 ' G' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.694 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 1' ' ' ILE . . . . . 0.406 HD12 ' CG2' ' W' ' 7' ' ' ILE . 96.6 mt . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -111.1 122.85 48.94 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 59.4 t -118.53 122.15 68.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.364 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 4' ' ' HIS . . . . . 0.416 ' O ' HD12 ' G' ' 5' ' ' LEU . 3.5 t60 -118.43 131.14 56.28 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 178.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 5' ' ' LEU . . . . . 0.433 HD11 HD11 ' W' ' 5' ' ' LEU . 18.9 mt -130.92 123.28 28.57 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.664 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -127.24 104.22 7.83 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 7' ' ' ILE . . . . . 0.451 HG12 HD11 ' G' ' 7' ' ' ILE . 48.1 mt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.988 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 84.1 mt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -107.26 123.49 48.39 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.466 HG12 HD11 ' K' ' 5' ' ' LEU . 21.8 t -116.18 125.79 73.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -117.83 129.34 55.6 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' K' K ' 5' ' ' LEU . . . . . 0.466 HD11 HG12 ' K' ' 3' ' ' VAL . 2.7 mp -131.75 126.29 34.09 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.757 0.313 . . . . 0.0 111.295 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -127.82 104.58 7.91 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' K' K ' 7' ' ' ILE . . . . . 0.7 HD13 ' H ' ' K' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 118.11 -0.948 . . . . 0.0 110.522 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' O' O ' 1' ' ' ILE . . . . . 0.436 HD12 ' CG2' ' A' ' 7' ' ' ILE . 97.4 mt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -113.08 122.83 48.75 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' O' O ' 3' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 5' ' ' LEU . 61.6 t -118.62 122.75 70.22 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.45 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.28 131.58 56.34 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 120.608 0.242 . . . . 0.0 111.542 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' O' O ' 5' ' ' LEU . . . . . 0.433 HD11 HD11 ' A' ' 5' ' ' LEU . 26.9 mt -129.94 128.45 42.15 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.88 0.372 . . . . 0.0 110.78 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -131.57 106.63 8.31 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' O' O ' 7' ' ' ILE . . . . . 0.457 ' CG2' HD12 ' A' ' 1' ' ' ILE . 55.0 mt . . . . . 0 C--O 1.218 -0.578 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.89 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 81.2 mt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -111.44 122.85 48.93 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 3' ' ' VAL . . . . . 0.569 HG12 HD11 ' Q' ' 5' ' ' LEU . 18.3 t -116.76 125.57 73.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -118.35 129.1 55.24 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 5' ' ' LEU . . . . . 0.569 HD11 HG12 ' Q' ' 3' ' ' VAL . 2.6 mp -132.81 119.96 20.95 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 121.112 0.482 . . . . 0.0 112.068 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -120.7 106.93 12.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.103 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Q' Q ' 7' ' ' ILE . . . . . 0.75 ' H ' HD13 ' Q' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.538 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 1' ' ' ILE . . . . . 0.47 HD12 ' CG2' ' E' ' 7' ' ' ILE . 96.4 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -112.96 122.9 49.03 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 60.7 t -118.53 122.4 69.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.644 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -118.52 131.16 56.24 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 120.676 0.274 . . . . 0.0 111.404 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 19.8 mt -129.68 126.39 38.2 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.587 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -130.12 104.93 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 177.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 7' ' ' ILE . . . . . 0.476 ' CG2' HD12 ' E' ' 1' ' ' ILE . 47.1 mt . . . . . 0 N--CA 1.469 0.517 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.835 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 78.2 mt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -110.39 123.11 49.25 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' U' U ' 3' ' ' VAL . . . . . 0.533 HG12 HD11 ' U' ' 5' ' ' LEU . 19.9 t -116.71 125.74 73.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -117.96 128.81 55.15 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' U' U ' 5' ' ' LEU . . . . . 0.533 HD11 HG12 ' U' ' 3' ' ' VAL . 2.7 mp -132.11 121.34 23.63 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 121.095 0.474 . . . . 0.0 111.734 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -122.6 105.45 10.11 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.259 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' U' U ' 7' ' ' ILE . . . . . 0.736 HD13 ' H ' ' U' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.678 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 1' ' ' ILE . . . . . 0.436 HD12 ' CG2' ' I' ' 7' ' ' ILE . 96.4 mt . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -111.01 123.18 49.68 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -118.57 122.41 69.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.39 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 4' ' ' HIS . . . . . 0.414 ' O ' HD12 ' U' ' 5' ' ' LEU . 3.2 t60 -118.3 130.92 56.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 120.537 0.208 . . . . 0.0 111.314 178.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 5' ' ' LEU . . . . . 0.433 HD11 HD11 ' I' ' 5' ' ' LEU . 18.5 mt -130.68 122.74 27.89 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.603 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -126.97 103.98 7.76 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 7' ' ' ILE . . . . . 0.5 HG12 HD11 ' U' ' 7' ' ' ILE . 51.7 mt . . . . . 0 N--CA 1.469 0.521 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.129 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -107.22 123.44 48.29 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 3' ' ' VAL . . . . . 0.471 HG12 HD11 ' Y' ' 5' ' ' LEU . 21.9 t -116.18 125.8 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -117.69 129.47 55.74 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 5' ' ' LEU . . . . . 0.471 HD11 HG12 ' Y' ' 3' ' ' VAL . 2.7 mp -131.79 127.43 36.67 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.805 0.336 . . . . 0.0 111.09 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -128.96 104.57 7.67 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 7' ' ' ILE . . . . . 0.699 HD13 ' H ' ' Y' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.458 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.634 HD13 ' N ' ' A' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.322 0.582 . . . . 0.0 109.524 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.634 ' N ' HD13 ' A' ' 1' ' ' ILE . 5.3 t-160 -114.33 122.16 45.83 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.355 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.552 HG11 HD13 ' O' ' 5' ' ' LEU . 56.2 t -118.11 121.66 67.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.66 131.42 56.17 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 120.68 0.276 . . . . 0.0 111.182 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.638 HD11 HD11 ' O' ' 5' ' ' LEU . 64.7 mt -119.52 114.84 22.89 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -124.99 108.58 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 7' ' ' ILE . 3.4 mt . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 117.895 -1.05 . . . . 0.0 110.337 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 1' ' ' ILE . . . . . 0.424 HG12 HG22 ' A' ' 1' ' ' ILE . 91.0 mt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -112.15 123.67 50.76 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 120.189 -0.604 . . . . 0.0 109.438 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 65.5 t -116.22 124.84 72.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -119.16 129.67 55.13 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 50.6 tp -122.3 123.44 41.42 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.793 0.33 . . . . 0.0 110.534 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -135.0 113.63 11.67 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.429 HG13 HG23 ' E' ' 7' ' ' ILE . 41.7 pt . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.489 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 1' ' ' ILE . . . . . 0.716 HD13 ' N ' ' E' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 2' ' ' HIS . . . . . 0.716 ' N ' HD13 ' E' ' 1' ' ' ILE . 6.4 t-160 -114.54 122.82 47.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.601 HG11 HD13 ' S' ' 5' ' ' LEU . 61.6 t -118.16 121.51 67.4 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 177.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -118.97 130.83 55.9 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.045 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 5' ' ' LEU . . . . . 0.61 HD11 HD11 ' S' ' 5' ' ' LEU . 55.4 mt -119.18 115.51 24.37 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.33 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -126.63 108.68 11.33 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 7' ' ' ILE . . . . . 0.459 HD13 HG21 ' S' ' 1' ' ' ILE . 4.5 mt . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.24 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 1' ' ' ILE . . . . . 0.493 HG23 ' CG2' ' E' ' 1' ' ' ILE . 92.1 mt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -111.47 123.65 50.66 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.733 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 66.0 t -116.22 124.69 72.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -119.02 129.51 55.17 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 55.1 tp -122.02 121.9 38.08 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 120.945 0.403 . . . . 0.0 110.473 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -133.71 112.5 11.44 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.467 178.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 46.2 pt . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.577 -179.565 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' I' I ' 1' ' ' ILE . . . . . 0.717 HD13 ' N ' ' I' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 2' ' ' HIS . . . . . 0.717 ' N ' HD13 ' I' ' 1' ' ' ILE . 7.1 t-160 -114.1 122.96 48.45 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.52 178.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.537 HG11 HD13 ' W' ' 5' ' ' LEU . 58.5 t -118.02 121.44 67.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.89 130.32 55.67 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.23 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 5' ' ' LEU . . . . . 0.576 HD11 HD11 ' W' ' 5' ' ' LEU . 50.4 mt -118.47 114.81 23.43 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.641 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -125.9 107.94 10.96 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 7' ' ' ILE . . . . . 0.401 HD13 HG21 ' W' ' 1' ' ' ILE . 5.5 mt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.24 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 1' ' ' ILE . . . . . 0.419 HG23 ' CG2' ' I' ' 1' ' ' ILE . 93.5 mt . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -108.52 123.87 49.56 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.472 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 66.0 t -115.77 124.93 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -118.88 129.52 55.24 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 tp -121.96 121.84 37.99 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 120.789 0.328 . . . . 0.0 110.359 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -135.11 111.38 9.68 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 pt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.458 -179.223 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' O' O ' 1' ' ' ILE . . . . . 0.628 HD13 ' N ' ' O' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.389 0.614 . . . . 0.0 109.599 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' O' O ' 2' ' ' HIS . . . . . 0.628 ' N ' HD13 ' O' ' 1' ' ' ILE . 5.3 t-160 -114.15 122.25 46.24 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' O' O ' 3' ' ' VAL . . . . . 0.587 HG11 HD13 ' A' ' 5' ' ' LEU . 56.2 t -118.17 121.94 68.42 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.77 131.53 56.12 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.624 0.249 . . . . 0.0 111.212 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' O' O ' 5' ' ' LEU . . . . . 0.638 HD11 HD11 ' A' ' 5' ' ' LEU . 64.1 mt -119.61 115.43 23.97 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -125.81 107.96 11.01 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' O' O ' 7' ' ' ILE . . . . . 0.413 HD13 HG21 ' O' ' 7' ' ' ILE . 3.2 mt . . . . . 0 N--CA 1.47 0.548 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.237 -178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 1' ' ' ILE . . . . . 0.419 HG23 ' CG2' ' O' ' 1' ' ' ILE . 91.2 mt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -112.11 123.96 51.39 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.504 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 70.6 t -116.15 124.95 72.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -119.2 129.47 54.99 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 tp -122.06 123.16 40.95 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 120.725 0.298 . . . . 0.0 110.52 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -134.8 113.19 11.36 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Q' Q ' 7' ' ' ILE . . . . . 0.474 HG13 HG23 ' S' ' 7' ' ' ILE . 43.4 pt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.417 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 1' ' ' ILE . . . . . 0.688 HD13 ' N ' ' S' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 2' ' ' HIS . . . . . 0.688 ' N ' HD13 ' S' ' 1' ' ' ILE . 6.5 t-160 -114.16 122.9 48.23 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 3' ' ' VAL . . . . . 0.545 HG11 HD13 ' E' ' 5' ' ' LEU . 60.6 t -118.25 121.52 67.38 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -119.05 130.7 55.76 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.16 177.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 5' ' ' LEU . . . . . 0.61 HD11 HD11 ' E' ' 5' ' ' LEU . 55.2 mt -118.95 116.05 25.64 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.358 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -127.28 108.06 10.54 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 7' ' ' ILE . . . . . 0.474 HG23 HG13 ' Q' ' 7' ' ' ILE . 4.1 mt . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.235 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' U' U ' 1' ' ' ILE . . . . . 0.493 HG23 ' CG2' ' S' ' 1' ' ' ILE . 93.0 mt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -110.93 123.69 50.64 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 120.211 -0.596 . . . . 0.0 109.82 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 67.0 t -116.18 124.59 72.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -118.84 129.29 55.14 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 55.2 tp -121.85 121.64 37.62 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.877 0.37 . . . . 0.0 110.691 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -133.43 112.49 11.62 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.622 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' U' U ' 7' ' ' ILE . . . . . 0.431 HG13 HG23 ' W' ' 7' ' ' ILE . 46.5 pt . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.674 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 1' ' ' ILE . . . . . 0.71 HD13 ' N ' ' W' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 2' ' ' HIS . . . . . 0.71 ' N ' HD13 ' W' ' 1' ' ' ILE . 8.5 t-160 -113.78 123.09 49.0 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 3' ' ' VAL . . . . . 0.54 HG11 HD13 ' I' ' 5' ' ' LEU . 57.4 t -118.0 121.43 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -118.66 130.21 55.73 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.079 177.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 5' ' ' LEU . . . . . 0.576 HD11 HD11 ' I' ' 5' ' ' LEU . 50.4 mt -118.7 113.78 21.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -125.23 107.92 11.22 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 7' ' ' ILE . . . . . 0.431 HG23 HG13 ' U' ' 7' ' ' ILE . 4.0 mt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.287 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 89.9 mt . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -108.29 123.88 49.48 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.545 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 70.1 t -115.83 124.84 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -118.9 129.66 55.31 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 tp -121.94 120.96 35.97 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 120.75 0.31 . . . . 0.0 110.522 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -134.28 111.17 10.01 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 47.5 pt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.536 -179.179 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.409 HD12 HG21 ' O' ' 7' ' ' ILE . 86.9 mt . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 121.577 0.703 . . . . 0.0 109.886 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -113.97 122.98 48.6 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.339 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.5 t -117.73 121.9 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.78 131.81 56.12 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.665 ' C ' HD13 ' A' ' 5' ' ' LEU . 1.9 tm? -126.53 121.69 33.01 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.462 ' N ' HD22 ' A' ' 5' ' ' LEU . 51.6 tt0 -135.81 119.08 16.67 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.426 HG21 HD13 ' A' ' 7' ' ' ILE . 14.2 mt . . . . . 0 N--CA 1.469 0.513 0 CA-C-O 117.719 -1.134 . . . . 0.0 109.618 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -111.75 124.16 51.75 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.474 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 84.0 t -115.7 125.13 72.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -118.41 129.03 55.18 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.596 HD11 HD11 ' Q' ' 5' ' ' LEU . 13.5 mt -126.52 118.28 24.58 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.483 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -131.01 111.06 11.69 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.891 -1.052 . . . . 0.0 109.848 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.121 0.486 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -113.69 122.67 47.84 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.232 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 82.7 t -117.67 121.08 66.62 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -118.97 130.95 55.97 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 5' ' ' LEU . . . . . 0.653 HD13 ' C ' ' E' ' 5' ' ' LEU . 2.0 tm? -124.45 119.85 30.36 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.64 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 6' ' ' GLN . . . . . 0.452 ' N ' HD22 ' E' ' 5' ' ' LEU . 51.5 tt0 -133.08 119.49 20.06 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 7' ' ' ILE . . . . . 0.476 HD12 HG21 ' U' ' 1' ' ' ILE . 7.5 mt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.765 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -110.84 124.11 51.41 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 94.2 t -115.8 125.11 72.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -117.88 128.83 55.21 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 5' ' ' LEU . . . . . 0.583 HD11 HD11 ' U' ' 5' ' ' LEU . 17.2 mt -125.47 119.4 28.13 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.593 -178.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -132.08 111.68 11.69 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.93 -1.034 . . . . 0.0 110.159 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -113.51 122.79 48.33 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 97.5 t -117.42 120.74 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.851 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -119.04 130.53 55.68 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 5' ' ' LEU . . . . . 0.667 ' C ' HD13 ' I' ' 5' ' ' LEU . 1.9 tm? -123.37 118.44 27.49 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.78 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 6' ' ' GLN . . . . . 0.424 ' N ' HD22 ' I' ' 5' ' ' LEU . 51.4 tt0 -131.06 120.03 22.84 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 7' ' ' ILE . . . . . 0.428 HD12 HG21 ' Y' ' 1' ' ' ILE . 9.1 mt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.759 -1.115 . . . . 0.0 109.837 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 1' ' ' ILE . . . . . 0.518 HG21 HD12 ' W' ' 7' ' ' ILE . 96.5 mt . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -107.71 124.14 49.57 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 84.5 t -115.84 125.95 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -117.38 129.1 55.64 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 5' ' ' LEU . . . . . 0.442 HD11 HD11 ' Y' ' 5' ' ' LEU . 35.3 mt -123.38 121.9 36.94 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 -178.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -135.62 110.11 8.53 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.415 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' O' O ' 1' ' ' ILE . . . . . 0.425 HD12 HG21 ' A' ' 7' ' ' ILE . 89.8 mt . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 121.435 0.636 . . . . 0.0 109.771 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.86 122.98 48.67 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.365 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 70.3 t -117.72 121.69 68.04 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.668 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 177.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.85 131.76 56.09 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' O' O ' 5' ' ' LEU . . . . . 0.674 HD13 ' C ' ' O' ' 5' ' ' LEU . 1.9 tm? -126.17 121.91 34.14 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' O' O ' 6' ' ' GLN . . . . . 0.457 ' N ' HD22 ' O' ' 5' ' ' LEU . 51.8 tt0 -136.0 119.42 16.87 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' O' O ' 7' ' ' ILE . . . . . 0.43 HD13 HG21 ' O' ' 7' ' ' ILE . 14.2 mt . . . . . 0 N--CA 1.47 0.529 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.57 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 95.8 mt . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -111.37 124.3 51.97 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.449 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -115.82 125.27 72.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -118.35 128.95 55.14 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 5' ' ' LEU . . . . . 0.596 HD11 HD11 ' C' ' 5' ' ' LEU . 13.1 mt -126.29 118.5 25.23 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.413 -178.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -131.05 110.3 11.11 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.913 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 88.5 mt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -113.56 122.87 48.53 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 81.7 t -117.77 121.02 66.43 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -119.08 130.94 55.86 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 5' ' ' LEU . . . . . 0.67 ' C ' HD13 ' S' ' 5' ' ' LEU . 1.9 tm? -124.11 119.74 30.33 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.622 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 6' ' ' GLN . . . . . 0.453 ' N ' HD22 ' S' ' 5' ' ' LEU . 51.7 tt0 -133.12 119.46 19.97 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 7' ' ' ILE . . . . . 0.407 HD13 HG21 ' S' ' 7' ' ' ILE . 10.2 mt . . . . . 0 C--O 1.218 -0.571 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.671 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' U' U ' 1' ' ' ILE . . . . . 0.476 HG21 HD12 ' E' ' 7' ' ' ILE . 95.9 mt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -110.91 124.18 51.59 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 90.4 t -115.83 125.38 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -117.88 128.86 55.23 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' U' U ' 5' ' ' LEU . . . . . 0.583 HD11 HD11 ' G' ' 5' ' ' LEU . 16.5 mt -125.46 119.05 27.17 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.353 -178.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -131.72 110.41 10.86 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.912 -1.042 . . . . 0.0 110.189 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -113.4 122.88 48.69 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 80.4 t -117.72 120.86 65.99 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.731 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -118.84 130.63 55.86 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 5' ' ' LEU . . . . . 0.667 ' C ' HD13 ' W' ' 5' ' ' LEU . 1.9 tm? -123.49 118.81 28.24 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 6' ' ' GLN . . . . . 0.436 ' N ' HD22 ' W' ' 5' ' ' LEU . 51.6 tt0 -131.91 119.16 20.76 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 7' ' ' ILE . . . . . 0.518 HD12 HG21 ' K' ' 1' ' ' ILE . 9.9 mt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.752 -1.118 . . . . 0.0 109.773 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 1' ' ' ILE . . . . . 0.428 HG21 HD12 ' I' ' 7' ' ' ILE . 96.5 mt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -107.76 123.91 49.25 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 87.1 t -115.81 126.08 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -117.16 129.29 55.86 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 5' ' ' LEU . . . . . 0.442 HD11 HD11 ' K' ' 5' ' ' LEU . 34.5 mt -123.52 121.52 35.87 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -135.42 109.2 8.06 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.326 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 96.0 mt . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -114.34 122.49 46.86 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.606 HG11 HD13 ' O' ' 5' ' ' LEU . 45.7 t -118.29 122.12 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.196 178.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.51 131.52 55.58 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.873 HD11 HD11 ' O' ' 5' ' ' LEU . 75.2 mt -121.92 112.46 18.33 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -123.12 105.5 9.98 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 mm . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.542 -179.47 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 121.355 0.598 . . . . 0.0 109.88 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -110.42 123.39 49.79 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.33 125.07 72.46 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -118.73 129.19 55.13 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.573 HD11 HD11 ' C' ' 7' ' ' ILE . 53.0 tp -123.32 123.7 41.31 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 121.246 -0.182 . . . . 0.0 110.857 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -132.81 105.57 7.22 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.573 HD11 HD11 ' C' ' 5' ' ' LEU . 46.6 mm . . . . . 0 C--O 1.218 -0.585 0 CA-C-O 117.62 -1.181 . . . . 0.0 110.545 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -113.36 122.63 47.95 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.553 HG11 HD13 ' S' ' 5' ' ' LEU . 49.2 t -118.56 121.19 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.904 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -119.37 130.75 55.49 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.673 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 5' ' ' LEU . . . . . 0.914 HD11 HD11 ' S' ' 5' ' ' LEU . 64.2 mt -121.11 111.55 17.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.35 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -121.68 108.14 13.19 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 8.6 mm . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.578 -179.473 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 1' ' ' ILE . . . . . 0.44 HD13 HD12 ' U' ' 7' ' ' ILE . 1.6 tt . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 121.161 0.505 . . . . 0.0 109.89 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -110.26 123.99 50.81 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 176.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -115.68 124.79 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -118.49 129.4 55.35 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 5' ' ' LEU . . . . . 0.605 HD11 HD11 ' G' ' 7' ' ' ILE . 52.9 tp -124.06 123.12 39.65 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.447 0.165 . . . . 0.0 111.173 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -132.1 104.7 6.94 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 7' ' ' ILE . . . . . 0.605 HD11 HD11 ' G' ' 5' ' ' LEU . 45.4 mm . . . . . 0 C--O 1.218 -0.587 0 CA-C-O 117.676 -1.154 . . . . 0.0 110.66 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -113.34 123.1 49.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.579 HG11 HD13 ' W' ' 5' ' ' LEU . 60.5 t -118.72 121.22 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.135 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.39 130.21 55.2 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.654 -0.419 . . . . 0.0 112.057 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 5' ' ' LEU . . . . . 0.989 HD11 HD11 ' W' ' 5' ' ' LEU . 55.9 mt -120.29 110.52 16.66 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.4 0.438 . . . . 0.0 110.48 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -120.81 106.84 12.05 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 8.5 mm . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.661 -179.27 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' K' K ' 1' ' ' ILE . . . . . 0.517 HD13 HD12 ' Y' ' 7' ' ' ILE . 1.9 tt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -108.75 124.61 50.85 Favored 'General case' 0 N--CA 1.462 0.126 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 56.0 t -115.22 125.41 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.26 129.67 55.61 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' K' K ' 5' ' ' LEU . . . . . 0.618 HD11 HD11 ' K' ' 7' ' ' ILE . 46.9 tp -124.82 122.41 37.34 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.507 0.194 . . . . 0.0 110.769 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -132.72 104.9 6.86 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' K' K ' 7' ' ' ILE . . . . . 0.618 HD11 HD11 ' K' ' 5' ' ' LEU . 43.6 mm . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 117.761 -1.114 . . . . 0.0 110.625 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -114.17 123.17 48.94 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' O' O ' 3' ' ' VAL . . . . . 0.63 HG11 HD13 ' A' ' 5' ' ' LEU . 46.7 t -118.9 121.89 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.137 177.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -119.11 131.7 55.93 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' O' O ' 5' ' ' LEU . . . . . 0.873 HD11 HD11 ' A' ' 5' ' ' LEU . 78.6 mt -121.6 112.01 17.93 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -122.74 105.58 10.18 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 mm . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.531 -179.703 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 121.189 0.518 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -110.19 123.94 50.68 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -115.52 124.73 72.3 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.63 129.27 55.22 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 5' ' ' LEU . . . . . 0.591 HD11 HD11 ' Q' ' 7' ' ' ILE . 51.5 tp -123.58 123.09 39.82 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.468 0.175 . . . . 0.0 110.768 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -132.14 105.54 7.43 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Q' Q ' 7' ' ' ILE . . . . . 0.591 HD11 HD11 ' Q' ' 5' ' ' LEU . 45.5 mm . . . . . 0 C--O 1.218 -0.604 0 CA-C-O 117.716 -1.135 . . . . 0.0 110.471 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -113.93 122.61 47.5 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 3' ' ' VAL . . . . . 0.663 HG11 HD13 ' E' ' 5' ' ' LEU . 50.8 t -118.31 121.45 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.94 177.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.51 130.62 55.28 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 5' ' ' LEU . . . . . 0.914 HD11 HD11 ' E' ' 5' ' ' LEU . 69.0 mt -121.13 113.21 19.68 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.186 0.303 . . . . 0.0 110.234 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -123.32 107.84 12.1 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 8.0 mm . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.67 -179.369 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' U' U ' 1' ' ' ILE . . . . . 0.483 HD13 HD12 ' G' ' 7' ' ' ILE . 1.5 tt . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 121.345 0.593 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -109.88 124.01 50.6 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -115.51 124.76 72.34 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -118.37 129.51 55.47 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' U' U ' 5' ' ' LEU . . . . . 0.615 HD11 HD11 ' U' ' 7' ' ' ILE . 51.4 tp -124.49 123.03 39.25 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 121.179 -0.209 . . . . 0.0 110.956 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -132.0 104.48 6.85 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' U' U ' 7' ' ' ILE . . . . . 0.615 HD11 HD11 ' U' ' 5' ' ' LEU . 45.1 mm . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 117.804 -1.093 . . . . 0.0 110.679 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -112.06 122.79 48.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 3' ' ' VAL . . . . . 0.606 HG11 HD13 ' I' ' 5' ' ' LEU . 60.4 t -118.31 121.33 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.32 130.12 55.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 5' ' ' LEU . . . . . 0.989 HD11 HD11 ' I' ' 5' ' ' LEU . 60.7 mt -120.78 110.7 16.68 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.374 0.421 . . . . 0.0 110.507 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -120.88 107.48 12.75 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 8.9 mm . . . . . 0 C--O 1.218 -0.563 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.703 -179.424 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' Y' Y ' 1' ' ' ILE . . . . . 0.509 HD13 HD12 ' K' ' 7' ' ' ILE . 1.9 tt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -108.6 124.83 51.1 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.68 125.03 72.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -118.06 130.15 55.98 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 5' ' ' LEU . . . . . 0.595 HD11 HD11 ' Y' ' 7' ' ' ILE . 46.3 tp -124.67 121.74 35.54 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.433 0.159 . . . . 0.0 110.64 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -132.04 104.42 6.81 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 7' ' ' ILE . . . . . 0.595 HD11 HD11 ' Y' ' 5' ' ' LEU . 44.3 mm . . . . . 0 C--O 1.217 -0.607 0 CA-C-O 117.773 -1.108 . . . . 0.0 110.652 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 84.2 mt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -113.34 123.12 49.37 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.4 t -118.23 122.78 70.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.25 130.36 56.01 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mt -140.08 115.83 10.2 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.066 0.46 . . . . 0.0 110.947 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -114.77 106.49 14.26 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.6 pt . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.557 -179.351 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' ILE . . . . . 0.471 HD12 ' CG2' ' Q' ' 7' ' ' ILE . 97.0 mt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -110.56 124.4 51.77 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -115.66 125.62 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -117.99 128.64 54.99 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.427 HD11 HD11 ' Q' ' 5' ' ' LEU . 4.5 mt -136.74 126.81 26.09 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 120.791 0.329 . . . . 0.0 110.826 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -125.17 115.01 19.76 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.436 ' CG2' HD12 ' Q' ' 1' ' ' ILE . 4.5 mt . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.949 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 84.9 mt . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -112.58 123.46 50.34 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.07 122.46 69.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.35 129.91 55.7 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 6.2 mt -138.9 115.12 10.32 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.124 0.488 . . . . 0.0 111.088 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -113.78 107.24 15.47 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.039 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 pt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.706 -179.047 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 1' ' ' ILE . . . . . 0.432 HD12 ' CG2' ' U' ' 7' ' ' ILE . 97.3 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -110.1 124.57 51.74 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -115.4 125.49 72.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -118.17 128.5 54.78 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 5' ' ' LEU . . . . . 0.504 HD11 HD11 ' U' ' 5' ' ' LEU . 5.7 mt -136.26 127.25 27.74 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.742 0.306 . . . . 0.0 110.811 -178.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -125.58 113.5 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.096 -0.954 . . . . 0.0 109.981 -179.364 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 85.8 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -111.04 123.64 50.58 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 48.5 t -117.8 122.05 68.84 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.44 129.71 55.55 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 mt -138.39 114.95 10.52 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.232 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -113.24 105.55 13.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.323 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 pt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.108 -0.949 . . . . 0.0 110.652 -179.33 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -107.68 124.88 50.64 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 61.1 t -115.02 125.34 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.17 128.63 54.9 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' K' K ' 5' ' ' LEU . . . . . 0.46 HD11 HD11 ' Y' ' 5' ' ' LEU . 9.6 mt -136.62 126.63 26.02 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.447 0.165 . . . . 0.0 110.559 -178.293 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -125.01 111.11 15.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.02 -179.276 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -113.0 123.01 49.35 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 45.9 t -118.14 122.68 70.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -118.22 130.01 55.82 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mt -139.47 117.66 11.91 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.164 0.507 . . . . 0.0 111.082 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -116.25 106.23 13.45 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 pt . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.488 -179.444 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' Q' Q ' 1' ' ' ILE . . . . . 0.436 HD12 ' CG2' ' C' ' 7' ' ' ILE . 96.2 mt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -110.79 124.51 52.16 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -115.56 125.48 72.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -118.06 128.33 54.65 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 5' ' ' LEU . . . . . 0.427 HD11 HD11 ' C' ' 5' ' ' LEU . 5.2 mt -136.72 127.1 26.61 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 -178.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -125.69 114.72 19.03 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Q' Q ' 7' ' ' ILE . . . . . 0.471 ' CG2' HD12 ' C' ' 1' ' ' ILE . 4.4 mt . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.945 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 88.0 mt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -112.15 123.33 50.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.07 122.33 69.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.33 129.8 55.65 Favored 'General case' 0 N--CA 1.433 -1.285 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 mt -138.42 115.8 11.18 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.143 0.497 . . . . 0.0 111.262 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -114.69 107.12 15.04 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.109 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 23.7 pt . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.681 -179.189 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -110.15 124.6 51.85 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.34 125.46 72.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.22 128.25 54.52 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' U' U ' 5' ' ' LEU . . . . . 0.504 HD11 HD11 ' G' ' 5' ' ' LEU . 6.6 mt -136.38 127.22 27.46 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.758 0.313 . . . . 0.0 110.895 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -125.86 113.43 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' U' U ' 7' ' ' ILE . . . . . 0.432 ' CG2' HD12 ' G' ' 1' ' ' ILE . 3.5 mt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.955 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 89.2 mt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -110.77 123.48 50.16 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -117.7 122.02 68.82 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.39 129.56 55.48 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 mt -138.44 114.78 10.35 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.069 0.461 . . . . 0.0 111.202 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -113.43 105.8 13.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.429 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' W' W ' 7' ' ' ILE . . . . . 0.421 ' OXT' ' O ' ' Y' ' 6' ' ' GLN . 19.3 pt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.738 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -107.69 124.88 50.65 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -115.09 125.21 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -118.21 128.84 55.08 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 5' ' ' LEU . . . . . 0.46 HD11 HD11 ' K' ' 5' ' ' LEU . 10.7 mt -136.77 127.13 26.56 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.785 -0.188 . . . . 0.0 110.603 -178.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Y' Y ' 6' ' ' GLN . . . . . 0.421 ' O ' ' OXT' ' W' ' 7' ' ' ILE . 50.8 tt0 -125.49 111.58 15.24 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.003 -179.259 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -112.85 123.13 49.61 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.3 t -118.42 122.66 70.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.79 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -117.97 130.44 56.2 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.532 0.206 . . . . 0.0 110.667 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.629 HD11 HD11 ' O' ' 5' ' ' LEU . 9.4 mt -128.21 123.58 34.6 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.032 -178.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -129.51 106.45 8.76 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.0 mt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.189 -179.332 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' ILE . . . . . 0.781 HD13 HG23 ' E' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -112.25 123.72 50.9 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.483 HG11 HD22 ' Q' ' 5' ' ' LEU . 86.2 t -115.73 125.71 72.99 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -117.69 128.6 55.06 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.688 HD21 HD11 ' C' ' 7' ' ' ILE . 41.5 tp -129.3 113.83 15.49 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.653 -179.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -121.13 113.65 20.32 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.688 HD11 HD21 ' C' ' 5' ' ' LEU . 17.6 mt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.879 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 1' ' ' ILE . . . . . 0.781 HG23 HD13 ' C' ' 1' ' ' ILE . 96.8 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -113.49 123.24 49.56 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 84.3 t -118.69 122.52 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.27 130.08 55.84 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.841 177.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 5' ' ' LEU . . . . . 0.503 HD11 HD11 ' S' ' 5' ' ' LEU . 7.4 mt -127.87 120.45 27.77 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -178.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -126.59 106.37 9.37 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 7' ' ' ILE . . . . . 0.502 HG12 HD12 ' C' ' 7' ' ' ILE . 80.9 mt . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.162 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 1' ' ' ILE . . . . . 0.819 HD13 HG23 ' I' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -112.0 123.76 50.95 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 176.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.531 HG11 HD22 ' U' ' 5' ' ' LEU . 89.1 t -115.67 125.73 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -117.84 128.58 54.98 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 5' ' ' LEU . . . . . 0.713 HD21 HD11 ' G' ' 7' ' ' ILE . 41.5 tp -128.99 113.97 15.83 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.729 0.299 . . . . 0.0 110.722 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -120.93 111.05 17.03 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 7' ' ' ILE . . . . . 0.713 HD11 HD21 ' G' ' 5' ' ' LEU . 21.3 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.911 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 1' ' ' ILE . . . . . 0.819 HG23 HD13 ' G' ' 1' ' ' ILE . 96.7 mt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -113.35 123.3 49.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 79.7 t -118.67 122.77 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.36 129.77 55.62 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 117.752 0.251 . . . . 0.0 111.338 177.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 5' ' ' LEU . . . . . 0.519 HD11 HD11 ' W' ' 5' ' ' LEU . 8.4 mt -127.36 119.06 25.37 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.291 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -125.28 106.38 9.81 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 7' ' ' ILE . . . . . 0.509 HG12 HD12 ' G' ' 7' ' ' ILE . 84.2 mt . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.192 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' K' K ' 1' ' ' ILE . . . . . 0.752 HD13 ' O ' ' K' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 108.939 -0.764 . . . . 0.0 108.939 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.84 123.76 50.73 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.48 HG11 HD22 ' Y' ' 5' ' ' LEU . 88.8 t -115.72 125.71 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.01 129.1 55.38 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' K' K ' 5' ' ' LEU . . . . . 0.615 HD21 HD11 ' K' ' 7' ' ' ILE . 42.0 tp -129.32 115.41 17.54 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.532 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -122.8 107.31 11.74 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' K' K ' 7' ' ' ILE . . . . . 0.615 HD11 HD21 ' K' ' 5' ' ' LEU . 45.0 mt . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.573 -178.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 97.1 mt . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -112.64 123.16 49.68 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 90.6 t -118.38 122.73 70.27 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -118.06 130.59 56.24 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 120.528 0.204 . . . . 0.0 110.745 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' O' O ' 5' ' ' LEU . . . . . 0.629 HD11 HD11 ' A' ' 5' ' ' LEU . 8.7 mt -128.43 123.28 33.34 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.917 -178.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -128.89 106.57 8.99 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.077 -179.338 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' Q' Q ' 1' ' ' ILE . . . . . 0.782 HD13 HG23 ' S' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -112.37 123.6 50.65 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 3' ' ' VAL . . . . . 0.483 HG11 HD22 ' C' ' 5' ' ' LEU . 85.7 t -115.64 125.79 72.94 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -117.98 128.56 54.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 5' ' ' LEU . . . . . 0.673 HD21 HD11 ' Q' ' 7' ' ' ILE . 38.6 tp -128.98 114.16 16.08 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.571 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -121.26 113.55 20.1 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Q' Q ' 7' ' ' ILE . . . . . 0.673 HD11 HD21 ' Q' ' 5' ' ' LEU . 17.7 mt . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.901 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 1' ' ' ILE . . . . . 0.782 HG23 HD13 ' Q' ' 1' ' ' ILE . 97.0 mt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -113.47 123.32 49.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 82.3 t -118.64 122.63 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -118.37 130.09 55.8 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 117.721 0.237 . . . . 0.0 110.892 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 5' ' ' LEU . . . . . 0.503 HD11 HD11 ' E' ' 5' ' ' LEU . 6.9 mt -128.21 120.87 28.11 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -126.92 106.66 9.46 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 7' ' ' ILE . . . . . 0.558 HG12 HD12 ' Q' ' 7' ' ' ILE . 79.2 mt . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.17 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' U' U ' 1' ' ' ILE . . . . . 0.801 HD13 HG23 ' W' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -112.03 123.73 50.89 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' U' U ' 3' ' ' VAL . . . . . 0.508 HG11 HD22 ' G' ' 5' ' ' LEU . 85.1 t -115.64 125.8 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -117.84 128.6 55.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' U' U ' 5' ' ' LEU . . . . . 0.707 HD21 HD11 ' U' ' 7' ' ' ILE . 40.7 tp -129.27 113.89 15.57 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.724 0.297 . . . . 0.0 110.73 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -120.82 111.14 17.18 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' U' U ' 7' ' ' ILE . . . . . 0.707 HD11 HD21 ' U' ' 5' ' ' LEU . 20.7 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.912 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' W' W ' 1' ' ' ILE . . . . . 0.801 HG23 HD13 ' U' ' 1' ' ' ILE . 97.0 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -113.41 123.69 50.67 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.32 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 82.3 t -118.54 122.64 69.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 176.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.23 129.52 55.53 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 117.777 0.262 . . . . 0.0 111.023 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' W' W ' 5' ' ' LEU . . . . . 0.519 HD11 HD11 ' I' ' 5' ' ' LEU . 8.4 mt -127.77 119.84 26.62 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.149 -178.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -126.08 106.71 9.78 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' W' W ' 7' ' ' ILE . . . . . 0.55 HG12 HD12 ' U' ' 7' ' ' ILE . 82.2 mt . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.313 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 1' ' ' ILE . . . . . 0.771 ' O ' HD13 ' Y' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -110.97 123.91 51.11 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 3' ' ' VAL . . . . . 0.423 HG11 HD22 ' K' ' 5' ' ' LEU . 89.7 t -115.57 125.85 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -118.11 129.18 55.39 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 5' ' ' LEU . . . . . 0.626 HD21 HD11 ' Y' ' 7' ' ' ILE . 41.6 tp -129.64 114.96 16.67 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.553 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -122.18 107.5 12.23 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 7' ' ' ILE . . . . . 0.626 HD11 HD21 ' Y' ' 5' ' ' LEU . 42.4 mt . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.792 -1.099 . . . . 0.0 109.497 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.0 tt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.633 0.73 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -113.94 122.8 48.08 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.643 HG11 HD13 ' O' ' 5' ' ' LEU . 59.2 t -118.12 122.21 69.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -118.55 131.08 56.22 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-O 120.723 0.297 . . . . 0.0 111.633 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.844 HD11 HD11 ' O' ' 5' ' ' LEU . 77.4 mt -127.02 122.97 35.95 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.02 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -126.88 108.07 10.66 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.8 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.111 -0.947 . . . . 0.0 109.693 -179.071 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 94.7 mt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -112.37 123.13 49.61 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.411 HG23 ' O ' ' C' ' 3' ' ' VAL . 34.6 m -116.48 125.43 73.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 177.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -118.85 129.33 55.16 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.59 116.97 18.08 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.975 0.417 . . . . 0.0 110.745 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -115.35 113.35 23.68 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 23.8 mm . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 118.154 -0.927 . . . . 0.0 109.816 -179.208 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.367 0.604 . . . . 0.0 109.896 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.94 123.21 49.2 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.745 HG11 HD13 ' S' ' 5' ' ' LEU . 62.6 t -117.75 121.08 66.58 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.218 178.033 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -119.4 130.13 55.15 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.701 178.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 5' ' ' LEU . . . . . 0.967 HD11 HD11 ' S' ' 5' ' ' LEU . 72.9 mt -126.48 123.29 37.48 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.856 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -127.32 108.57 10.97 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 63.1 mt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.022 -178.859 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -111.72 123.55 50.47 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.419 ' O ' HG23 ' G' ' 3' ' ' VAL . 34.6 m -116.13 125.26 73.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -118.59 129.24 55.22 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.79 117.41 18.53 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.13 0.49 . . . . 0.0 111.177 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -115.97 111.14 19.94 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.487 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 118.174 -0.917 . . . . 0.0 109.945 -179.462 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.86 123.54 50.03 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.72 HG11 HD13 ' W' ' 5' ' ' LEU . 64.1 t -117.45 120.95 66.39 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.533 178.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -119.42 129.87 55.0 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.855 177.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 5' ' ' LEU . . . . . 0.997 HD11 HD11 ' W' ' 5' ' ' LEU . 68.1 mt -126.54 122.6 35.59 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.861 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -125.9 107.98 11.0 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.333 -178.898 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 93.4 mt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -108.88 124.59 50.88 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.448 ' O ' HG23 ' K' ' 3' ' ' VAL . 30.9 m -115.24 125.18 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.89 129.49 55.22 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.59 118.33 19.07 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -117.52 107.25 14.06 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 27.3 mm . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.135 -0.936 . . . . 0.0 109.713 -179.392 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 2.2 tt . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.619 0.723 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -113.77 122.82 48.25 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' O' O ' 3' ' ' VAL . . . . . 0.683 HG11 HD13 ' A' ' 5' ' ' LEU . 61.3 t -118.03 122.22 69.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.6 131.15 56.19 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 120.725 0.298 . . . . 0.0 111.646 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' O' O ' 5' ' ' LEU . . . . . 0.844 HD11 HD11 ' A' ' 5' ' ' LEU . 77.1 mt -126.97 123.52 37.34 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.014 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -127.66 107.82 10.23 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.771 -179.047 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 93.2 mt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -112.22 123.02 49.37 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 177.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 3' ' ' VAL . . . . . 0.434 HG23 ' O ' ' Q' ' 3' ' ' VAL . 34.2 m -116.44 125.47 73.47 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -118.78 129.44 55.24 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.79 116.72 17.62 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.087 0.47 . . . . 0.0 110.736 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -114.99 113.01 23.54 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.074 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 24.5 mm . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.758 -179.374 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.473 0.654 . . . . 0.0 109.822 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.99 123.51 49.88 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.447 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 3' ' ' VAL . . . . . 0.8 HG11 HD13 ' E' ' 5' ' ' LEU . 60.0 t -117.71 121.26 67.02 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.154 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -119.19 130.33 55.44 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.67 178.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 5' ' ' LEU . . . . . 0.967 HD11 HD11 ' E' ' 5' ' ' LEU . 75.0 mt -126.51 123.26 37.38 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.874 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -127.28 108.46 10.88 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 63.3 mt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.169 -178.78 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 92.0 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -111.76 123.54 50.46 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' U' U ' 3' ' ' VAL . . . . . 0.431 ' O ' HG23 ' U' ' 3' ' ' VAL . 34.7 m -116.17 125.34 73.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -118.47 129.33 55.32 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.79 117.34 18.44 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.049 0.452 . . . . 0.0 111.329 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -116.01 111.28 20.12 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.519 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 mm . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.134 -0.936 . . . . 0.0 109.911 -179.485 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.359 0.599 . . . . 0.0 109.714 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.8 123.73 50.53 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 177.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' W' W ' 3' ' ' VAL . . . . . 0.771 HG11 HD13 ' I' ' 5' ' ' LEU . 62.4 t -117.47 121.17 66.94 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.506 177.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -119.35 129.85 55.05 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.568 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' W' W ' 5' ' ' LEU . . . . . 0.997 HD11 HD11 ' I' ' 5' ' ' LEU . 72.2 mt -126.78 121.81 33.01 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.971 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -125.64 108.26 11.39 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 62.4 mt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.358 -178.9 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 87.6 mt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -108.3 124.4 50.28 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 3' ' ' VAL . . . . . 0.451 HG23 ' O ' ' Y' ' 3' ' ' VAL . 31.7 m -115.24 125.12 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.9 129.94 55.46 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.06 118.23 18.51 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 120.861 0.362 . . . . 0.0 110.97 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -117.2 107.95 15.07 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 27.5 mm . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.144 -0.931 . . . . 0.0 109.737 -179.54 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.51 ' O ' HD12 ' C' ' 1' ' ' ILE . 72.3 mt . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -112.92 122.62 48.19 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 3' ' ' VAL . 34.2 m -118.5 122.82 70.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.043 178.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.75 130.92 56.07 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 116.807 -0.179 . . . . 0.0 110.552 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -124.18 123.81 41.1 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.786 0.327 . . . . 0.0 110.698 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -135.95 110.58 8.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.779 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.7 pt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.476 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' ILE . . . . . 0.957 HG21 HG21 ' Q' ' 7' ' ' ILE . 1.4 tp . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.269 0.557 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -111.21 124.27 51.88 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 38.5 t -114.48 124.74 71.43 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -119.1 128.69 54.54 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.438 HD11 HD11 ' Q' ' 5' ' ' LEU . 20.5 mt -128.31 123.02 32.97 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.671 -178.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -136.48 107.31 6.63 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.965 HG21 HG21 ' Q' ' 1' ' ' ILE . 19.5 mm . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.237 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 1' ' ' ILE . . . . . 0.79 HG23 HG23 ' C' ' 1' ' ' ILE . 60.1 mt . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -111.42 122.31 47.5 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.487 HG23 ' O ' ' E' ' 3' ' ' VAL . 31.1 m -119.05 122.6 69.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 177.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -118.68 130.44 55.84 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 116.797 -0.183 . . . . 0.0 110.773 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 tp -123.1 122.01 37.42 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.198 0.311 . . . . 0.0 111.308 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -134.24 113.34 11.88 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.969 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 7' ' ' ILE . . . . . 0.557 HD11 HD12 ' G' ' 7' ' ' ILE . 44.0 pt . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.755 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 1' ' ' ILE . . . . . 0.932 HG21 HG21 ' U' ' 7' ' ' ILE . 1.3 tp . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 121.078 0.466 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -110.05 124.25 51.14 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 36.8 t -114.57 124.61 71.39 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -118.97 128.63 54.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 5' ' ' LEU . . . . . 0.469 HD11 HD11 ' U' ' 5' ' ' LEU . 22.3 mt -127.66 122.55 33.32 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.533 -178.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -135.55 107.29 7.0 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 7' ' ' ILE . . . . . 0.928 HG21 HG21 ' U' ' 1' ' ' ILE . 19.3 mm . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.256 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 1' ' ' ILE . . . . . 0.655 HG23 HG23 ' G' ' 1' ' ' ILE . 61.8 mt . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -111.92 122.44 47.79 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.477 ' O ' HG23 ' I' ' 3' ' ' VAL . 32.6 m -119.19 122.53 69.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -118.6 130.59 55.96 Favored 'General case' 0 N--CA 1.436 -1.16 0 C-N-CA 121.167 -0.213 . . . . 0.0 110.841 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 53.9 tp -122.81 121.22 35.74 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.762 0.315 . . . . 0.0 111.547 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -133.17 113.53 12.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.19 178.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 7' ' ' ILE . . . . . 0.56 HD11 HD12 ' K' ' 7' ' ' ILE . 43.0 pt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.833 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' K' K ' 1' ' ' ILE . . . . . 0.901 HG21 HG21 ' Y' ' 7' ' ' ILE . 1.2 tp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -107.93 124.68 50.49 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 175.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 30.0 t -114.05 124.73 70.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.79 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -118.8 128.47 54.49 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 mt -126.53 122.6 35.61 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -136.56 106.49 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' K' K ' 7' ' ' ILE . . . . . 0.864 HG21 HG21 ' Y' ' 1' ' ' ILE . 18.0 mm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.18 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' O' O ' 1' ' ' ILE . . . . . 0.499 ' O ' HD12 ' Q' ' 1' ' ' ILE . 71.9 mt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -112.53 122.52 47.94 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' O' O ' 3' ' ' VAL . . . . . 0.508 HG23 ' O ' ' O' ' 3' ' ' VAL . 33.9 m -118.62 122.49 69.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.61 131.04 56.19 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 116.768 -0.197 . . . . 0.0 110.561 178.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 tp -124.18 124.14 41.82 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.752 0.31 . . . . 0.0 110.767 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -136.55 111.1 8.59 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' O' O ' 7' ' ' ILE . . . . . 0.439 HD11 HD12 ' Q' ' 7' ' ' ILE . 44.7 pt . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.451 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 1' ' ' ILE . . . . . 0.965 HG21 HG21 ' C' ' 7' ' ' ILE . 1.4 tp . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.438 0.637 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -110.76 124.51 52.13 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 40.3 t -114.87 124.62 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.8 128.85 54.85 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 177.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 5' ' ' LEU . . . . . 0.438 HD11 HD11 ' C' ' 5' ' ' LEU . 18.0 mt -128.41 122.26 30.96 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.914 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -135.96 107.93 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Q' Q ' 7' ' ' ILE . . . . . 0.957 HG21 HG21 ' C' ' 1' ' ' ILE . 16.3 mm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.137 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 1' ' ' ILE . . . . . 0.583 HG23 HG23 ' Q' ' 1' ' ' ILE . 62.5 mt . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -112.05 122.61 48.23 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.01 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 3' ' ' VAL . . . . . 0.517 ' O ' HG23 ' S' ' 3' ' ' VAL . 31.3 m -118.96 122.59 69.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.16 177.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -118.71 130.48 55.85 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 121.131 -0.227 . . . . 0.0 110.765 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 55.7 tp -122.82 121.0 35.19 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.818 0.342 . . . . 0.0 111.161 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -133.29 113.07 12.2 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.842 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 7' ' ' ILE . . . . . 0.556 HD11 HD12 ' U' ' 7' ' ' ILE . 44.1 pt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.607 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' U' U ' 1' ' ' ILE . . . . . 0.928 HG21 HG21 ' G' ' 7' ' ' ILE . 1.2 tp . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 121.053 0.454 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -109.02 124.35 50.59 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 38.6 t -114.8 124.5 71.52 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -118.6 128.77 54.86 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' U' U ' 5' ' ' LEU . . . . . 0.469 HD11 HD11 ' G' ' 5' ' ' LEU . 21.3 mt -127.89 121.18 29.36 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.818 -178.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -134.64 107.66 7.61 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' U' U ' 7' ' ' ILE . . . . . 0.932 HG21 HG21 ' G' ' 1' ' ' ILE . 17.5 mm . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.198 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' W' W ' 1' ' ' ILE . . . . . 0.518 HG23 HG23 ' U' ' 1' ' ' ILE . 62.8 mt . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -110.87 122.47 47.93 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.424 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' W' W ' 3' ' ' VAL . . . . . 0.496 HG23 ' O ' ' W' ' 3' ' ' VAL . 31.4 m -119.14 122.57 69.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.371 177.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.37 130.3 55.92 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.764 178.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 54.5 tp -122.67 120.12 32.76 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.824 0.345 . . . . 0.0 111.384 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -132.11 113.19 13.03 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.118 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' W' W ' 7' ' ' ILE . . . . . 0.54 HD11 HD12 ' Y' ' 7' ' ' ILE . 43.3 pt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.801 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 1' ' ' ILE . . . . . 0.864 HG21 HG21 ' K' ' 7' ' ' ILE . 1.3 tp . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -107.6 124.46 49.97 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 34.2 t -114.38 125.0 71.58 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.819 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -118.69 128.97 55.02 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 37.6 mt -126.53 122.02 33.97 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.591 0.234 . . . . 0.0 110.465 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -136.17 106.94 6.59 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 7' ' ' ILE . . . . . 0.901 HG21 HG21 ' K' ' 1' ' ' ILE . 19.0 mm . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.218 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 92.4 mt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -114.09 122.4 46.75 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.2 t -119.03 121.79 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.26 131.17 55.74 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 120.545 0.212 . . . . 0.0 111.198 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.2 tp -116.89 120.63 39.07 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.67 107.14 9.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 pt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.735 -178.864 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' ILE . . . . . 0.477 HD12 HD12 ' Q' ' 7' ' ' ILE . 90.1 mt . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -111.64 123.23 49.81 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.457 HG12 HD21 ' C' ' 5' ' ' LEU . 62.3 t -116.2 124.42 72.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 4' ' ' HIS . . . . . 0.522 ' C ' HD22 ' C' ' 5' ' ' LEU . 23.5 m170 -119.14 129.35 54.98 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.721 ' N ' HD22 ' C' ' 5' ' ' LEU . 1.9 mm? -117.16 123.0 45.65 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -135.64 117.62 15.3 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.049 0.452 . . . . 0.0 109.923 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.623 HD11 HD13 ' S' ' 1' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 117.811 -1.09 . . . . 0.0 110.494 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 1' ' ' ILE . . . . . 0.636 HD13 HD11 ' Q' ' 7' ' ' ILE . 92.7 mt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -113.77 122.32 46.74 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 64.1 t -119.09 121.41 66.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.51 130.63 55.29 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.149 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 5' ' ' LEU . . . . . 0.4 HD11 ' CG2' ' E' ' 7' ' ' ILE . 60.8 tp -116.1 121.33 41.85 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -130.84 109.65 10.72 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 7' ' ' ILE . . . . . 0.4 ' CG2' HD11 ' E' ' 5' ' ' LEU . 32.2 pt . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.699 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -111.32 123.35 50.04 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.439 HG12 HD21 ' G' ' 5' ' ' LEU . 61.3 t -116.18 124.51 72.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 4' ' ' HIS . . . . . 0.504 ' C ' HD22 ' G' ' 5' ' ' LEU . 25.0 m170 -119.05 129.09 54.92 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 5' ' ' LEU . . . . . 0.722 HD22 ' N ' ' G' ' 5' ' ' LEU . 1.9 mm? -116.66 121.92 43.07 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 178.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -135.62 115.51 13.09 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 7' ' ' ILE . . . . . 0.555 HD11 HD13 ' W' ' 1' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.667 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 1' ' ' ILE . . . . . 0.602 HD13 HD11 ' U' ' 7' ' ' ILE . 90.2 mt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -113.48 122.34 47.0 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 63.3 t -119.03 121.48 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -119.55 130.26 55.07 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.105 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 5' ' ' LEU . . . . . 0.435 HD11 ' CG2' ' I' ' 7' ' ' ILE . 58.7 tp -115.25 120.89 41.21 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.823 0.344 . . . . 0.0 110.578 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -130.82 110.46 11.33 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 7' ' ' ILE . . . . . 0.435 ' CG2' HD11 ' I' ' 5' ' ' LEU . 29.0 pt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.668 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -110.42 123.58 50.14 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.416 HG12 HD21 ' K' ' 5' ' ' LEU . 67.0 t -115.82 124.78 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' K' K ' 4' ' ' HIS . . . . . 0.505 ' C ' HD22 ' K' ' 5' ' ' LEU . 26.6 m170 -118.91 129.22 55.07 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.276 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' K' K ' 5' ' ' LEU . . . . . 0.755 ' N ' HD22 ' K' ' 5' ' ' LEU . 1.7 mm? -116.09 121.76 43.12 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -137.52 114.1 10.34 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 7' ' ' ILE . . . . . 0.403 HD13 HG21 ' K' ' 7' ' ' ILE . 2.0 pt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.391 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 92.3 mt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.82 122.23 46.42 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 66.3 t -118.93 121.72 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.1 131.15 55.9 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 120.469 0.176 . . . . 0.0 111.222 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 62.9 tp -116.96 120.68 39.17 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.8 107.78 9.66 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 47.4 pt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.669 -178.852 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' Q' Q ' 1' ' ' ILE . . . . . 0.464 HD12 HD12 ' C' ' 7' ' ' ILE . 88.5 mt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -111.78 123.21 49.75 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 3' ' ' VAL . . . . . 0.467 HG12 HD21 ' Q' ' 5' ' ' LEU . 60.3 t -116.08 124.36 72.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 4' ' ' HIS . . . . . 0.513 ' C ' HD22 ' Q' ' 5' ' ' LEU . 23.9 m170 -119.33 129.38 54.83 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 5' ' ' LEU . . . . . 0.725 HD22 ' N ' ' Q' ' 5' ' ' LEU . 1.9 mm? -117.14 123.22 46.2 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -135.93 117.67 15.05 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.036 0.446 . . . . 0.0 109.929 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Q' Q ' 7' ' ' ILE . . . . . 0.636 HD11 HD13 ' E' ' 1' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 117.898 -1.048 . . . . 0.0 110.552 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 1' ' ' ILE . . . . . 0.623 HD13 HD11 ' C' ' 7' ' ' ILE . 94.0 mt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -113.73 122.44 47.13 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 63.4 t -119.17 121.45 66.68 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.366 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.49 130.93 55.47 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.102 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 60.5 tp -116.58 121.39 41.61 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -130.91 110.13 11.05 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 32.7 pt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.717 -178.601 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 90.4 mt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -111.37 123.24 49.82 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' U' U ' 3' ' ' VAL . . . . . 0.448 HG12 HD21 ' U' ' 5' ' ' LEU . 61.2 t -116.15 124.57 72.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.255 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' U' U ' 4' ' ' HIS . . . . . 0.504 ' C ' HD22 ' U' ' 5' ' ' LEU . 24.5 m170 -119.03 129.2 54.99 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' U' U ' 5' ' ' LEU . . . . . 0.716 ' N ' HD22 ' U' ' 5' ' ' LEU . 1.8 mm? -116.83 121.51 41.73 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -135.23 115.65 13.57 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' U' U ' 7' ' ' ILE . . . . . 0.602 HD11 HD13 ' I' ' 1' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.6 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 1' ' ' ILE . . . . . 0.555 HD13 HD11 ' G' ' 7' ' ' ILE . 93.7 mt . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -113.3 122.44 47.41 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.811 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.0 121.55 67.1 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.47 130.15 55.09 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.851 -0.339 . . . . 0.0 110.834 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 5' ' ' LEU . . . . . 0.432 HD11 ' CG2' ' W' ' 7' ' ' ILE . 58.3 tp -115.73 121.15 41.62 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.867 0.365 . . . . 0.0 110.652 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -131.15 111.21 11.76 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 7' ' ' ILE . . . . . 0.432 ' CG2' HD11 ' W' ' 5' ' ' LEU . 29.7 pt . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.696 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 91.8 mt . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -110.25 123.6 50.09 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Y' Y ' 3' ' ' VAL . . . . . 0.409 HG12 HD21 ' Y' ' 5' ' ' LEU . 66.9 t -115.97 124.7 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 4' ' ' HIS . . . . . 0.514 ' C ' HD22 ' Y' ' 5' ' ' LEU . 24.0 m170 -118.89 129.39 55.17 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.45 178.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 5' ' ' LEU . . . . . 0.757 HD22 ' N ' ' Y' ' 5' ' ' LEU . 1.7 mm? -115.97 121.36 42.03 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -136.97 114.01 10.6 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.318 -179.024 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.482 HD12 HD12 ' O' ' 7' ' ' ILE . 82.1 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -113.44 122.88 48.66 Favored 'General case' 0 N--CA 1.438 -1.026 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -117.93 121.64 67.83 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -119.08 130.95 55.87 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.309 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.675 ' C ' HD13 ' A' ' 5' ' ' LEU . 2.7 tm? -121.83 118.56 29.28 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -133.74 119.01 18.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.482 HD12 HD12 ' O' ' 1' ' ' ILE . 45.6 pt . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.985 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 93.1 mt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -111.32 123.64 50.62 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.582 HG11 HD13 ' Q' ' 5' ' ' LEU . 58.0 t -115.78 124.97 72.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -119.03 129.6 55.2 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . 0.641 HD13 HG11 ' Q' ' 3' ' ' VAL . 72.3 mt -122.09 123.39 41.46 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -138.77 112.69 8.49 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.442 HG12 HG22 ' E' ' 7' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.678 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.681 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 1' ' ' ILE . . . . . 0.462 HD13 HD11 ' Q' ' 7' ' ' ILE . 83.9 mt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -113.42 122.96 48.9 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.85 121.32 67.1 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -119.32 130.45 55.38 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.188 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 5' ' ' LEU . . . . . 0.647 HD13 ' C ' ' E' ' 5' ' ' LEU . 2.7 tm? -121.55 116.61 24.98 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -133.0 117.85 18.11 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 7' ' ' ILE . . . . . 0.442 HG22 HG12 ' C' ' 7' ' ' ILE . 46.6 pt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.852 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -110.94 123.88 51.02 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.517 HG11 HD13 ' U' ' 5' ' ' LEU . 59.8 t -115.75 124.78 72.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -118.66 129.54 55.36 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 5' ' ' LEU . . . . . 0.549 HD13 HG11 ' U' ' 3' ' ' VAL . 73.0 mt -122.06 122.34 39.05 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -139.15 112.99 8.5 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.597 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 1' ' ' ILE . . . . . 0.474 HD13 HD11 ' U' ' 7' ' ' ILE . 82.0 mt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -112.95 123.03 49.38 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -117.86 121.23 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -119.29 130.27 55.32 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.215 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 5' ' ' LEU . . . . . 0.624 ' C ' HD13 ' I' ' 5' ' ' LEU . 2.8 tm? -121.52 114.48 21.29 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -131.74 117.25 18.35 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.517 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 7' ' ' ILE . . . . . 0.425 HD11 HD13 ' Y' ' 1' ' ' ILE . 43.2 pt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.775 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -110.17 124.16 51.05 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 63.8 t -115.46 125.07 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -118.62 129.79 55.51 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 5' ' ' LEU . . . . . 0.408 HD11 HD11 ' Y' ' 5' ' ' LEU . 76.6 mt -120.95 122.86 41.09 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -141.3 111.57 6.83 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 pt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.585 -179.032 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' O' O ' 1' ' ' ILE . . . . . 0.482 HD12 HD12 ' A' ' 7' ' ' ILE . 82.2 mt . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.63 122.8 48.27 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.96 121.62 67.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.93 131.1 56.02 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-O 120.622 0.249 . . . . 0.0 111.249 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 5' ' ' LEU . . . . . 0.676 HD13 ' C ' ' O' ' 5' ' ' LEU . 2.7 tm? -122.08 118.46 28.78 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -133.88 119.25 18.91 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 7' ' ' ILE . . . . . 0.482 HD12 HD12 ' A' ' 1' ' ' ILE . 44.7 pt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.957 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -111.42 123.82 50.99 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 3' ' ' VAL . . . . . 0.641 HG11 HD13 ' C' ' 5' ' ' LEU . 58.2 t -116.09 124.79 72.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -118.83 129.66 55.34 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 5' ' ' LEU . . . . . 0.582 HD13 HG11 ' C' ' 3' ' ' VAL . 73.1 mt -121.87 123.42 41.7 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -138.77 112.59 8.43 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Q' Q ' 7' ' ' ILE . . . . . 0.467 HG12 HG22 ' S' ' 7' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.676 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 1' ' ' ILE . . . . . 0.422 HD13 HD11 ' C' ' 7' ' ' ILE . 83.5 mt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.51 123.04 49.05 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.9 121.32 67.08 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -119.27 130.57 55.49 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.199 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 5' ' ' LEU . . . . . 0.655 ' C ' HD13 ' S' ' 5' ' ' LEU . 2.7 tm? -122.01 116.63 24.64 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -133.13 118.27 18.5 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.278 0.561 . . . . 0.0 109.576 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 7' ' ' ILE . . . . . 0.467 HG22 HG12 ' Q' ' 7' ' ' ILE . 46.7 pt . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.703 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 90.6 mt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -111.17 123.79 50.91 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 3' ' ' VAL . . . . . 0.549 HG11 HD13 ' G' ' 5' ' ' LEU . 57.8 t -115.72 124.64 72.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -118.33 129.48 55.46 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 5' ' ' LEU . . . . . 0.54 HD11 HD11 ' G' ' 5' ' ' LEU . 72.3 mt -121.77 121.86 38.21 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -138.77 112.7 8.5 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' U' U ' 7' ' ' ILE . . . . . 0.474 HD11 HD13 ' I' ' 1' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.625 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.568 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 81.8 mt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -112.98 123.05 49.42 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -117.71 121.16 66.79 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -119.28 130.23 55.31 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.103 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 5' ' ' LEU . . . . . 0.629 ' C ' HD13 ' W' ' 5' ' ' LEU . 2.7 tm? -121.89 114.45 21.04 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -131.78 117.86 19.14 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.72 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 7' ' ' ILE . . . . . 0.416 HG22 HG12 ' U' ' 7' ' ' ILE . 42.7 pt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.801 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 1' ' ' ILE . . . . . 0.425 HD13 HD11 ' I' ' 7' ' ' ILE . 90.3 mt . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -110.26 123.99 50.8 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 64.7 t -115.61 125.04 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.39 129.81 55.63 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 5' ' ' LEU . . . . . 0.408 HD11 HD11 ' K' ' 5' ' ' LEU . 76.8 mt -120.57 121.66 38.88 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -139.95 111.75 7.41 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 pt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.589 -179.11 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.619 ' O ' HD13 ' C' ' 1' ' ' ILE . 95.7 mt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -115.02 121.99 44.83 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.605 HG11 HD13 ' O' ' 5' ' ' LEU . 42.2 t -119.05 122.43 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.63 130.95 56.15 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.911 HD11 HD11 ' O' ' 5' ' ' LEU . 74.8 mt -122.47 118.14 27.63 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.616 179.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -127.02 105.97 8.96 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.203 -178.908 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' ILE . . . . . 0.619 HD13 ' O ' ' A' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -112.68 123.05 49.42 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 176.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.559 HG11 HD22 ' Q' ' 5' ' ' LEU . 70.1 t -116.1 125.44 73.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -118.04 129.37 55.52 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . 0.574 HD22 HG11 ' Q' ' 3' ' ' VAL . 44.3 tp -126.21 124.83 41.3 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.822 0.344 . . . . 0.0 110.733 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -136.45 114.71 11.63 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.102 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.642 ' H ' HD12 ' C' ' 7' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.287 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 1' ' ' ILE . . . . . 0.581 ' O ' HD13 ' G' ' 1' ' ' ILE . 81.1 mt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.88 122.11 46.03 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.601 HG11 HD13 ' S' ' 5' ' ' LEU . 44.1 t -119.11 122.13 68.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.77 130.41 55.78 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.934 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 5' ' ' LEU . . . . . 1.073 HD11 HD11 ' S' ' 5' ' ' LEU . 62.7 mt -122.52 116.89 24.69 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.873 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 6' ' ' GLN . . . . . 0.416 ' O ' HD12 ' C' ' 7' ' ' ILE . 52.2 tt0 -124.86 107.18 10.63 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 7' ' ' ILE . . . . . 0.401 HG12 HD13 ' C' ' 7' ' ' ILE . 4.6 mt . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.351 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 1' ' ' ILE . . . . . 0.581 HD13 ' O ' ' E' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -112.25 123.11 49.57 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.539 -0.864 . . . . 0.0 108.838 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.52 HG11 HD22 ' U' ' 5' ' ' LEU . 63.9 t -116.38 125.12 73.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -118.1 129.31 55.47 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 5' ' ' LEU . . . . . 0.528 HD22 HG11 ' U' ' 3' ' ' VAL . 45.4 tp -126.2 124.59 40.79 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.986 0.422 . . . . 0.0 110.827 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -135.78 111.84 9.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.323 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 7' ' ' ILE . . . . . 0.551 ' H ' HD12 ' G' ' 7' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.335 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 1' ' ' ILE . . . . . 0.529 HG23 HG22 ' G' ' 1' ' ' ILE . 68.5 mt . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -113.46 122.35 47.03 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.618 HG11 HD13 ' W' ' 5' ' ' LEU . 45.8 t -118.98 122.03 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.86 129.75 55.38 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.893 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 5' ' ' LEU . . . . . 1.048 HD11 HD11 ' W' ' 5' ' ' LEU . 58.7 mt -122.26 112.82 18.61 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.052 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 6' ' ' GLN . . . . . 0.481 ' O ' HD12 ' G' ' 7' ' ' ILE . 52.1 tt0 -120.81 106.82 12.03 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.553 -179.53 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' K' K ' 1' ' ' ILE . . . . . 0.441 HD13 ' O ' ' I' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.764 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.86 123.12 49.5 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 62.9 t -116.3 125.49 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -118.09 129.41 55.53 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 5' ' ' LEU . . . . . 0.435 ' HG ' HD11 ' K' ' 7' ' ' ILE . 42.9 tp -126.68 124.52 40.02 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.885 0.374 . . . . 0.0 110.71 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -136.26 109.22 7.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.171 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 7' ' ' ILE . . . . . 0.522 ' H ' HD12 ' K' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.269 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 1' ' ' ILE . . . . . 0.654 ' O ' HD13 ' Q' ' 1' ' ' ILE . 92.3 mt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -115.11 122.11 45.09 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 3' ' ' VAL . . . . . 0.633 HG11 HD13 ' A' ' 5' ' ' LEU . 42.2 t -119.04 122.3 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.53 131.0 56.23 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 5' ' ' LEU . . . . . 0.911 HD11 HD11 ' A' ' 5' ' ' LEU . 76.2 mt -122.29 119.51 31.35 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -127.82 106.66 9.27 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.194 -178.761 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' Q' Q ' 1' ' ' ILE . . . . . 0.654 HD13 ' O ' ' O' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -113.11 123.01 49.26 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 176.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 3' ' ' VAL . . . . . 0.574 HG11 HD22 ' C' ' 5' ' ' LEU . 63.9 t -116.44 125.52 73.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.13 129.51 55.57 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 5' ' ' LEU . . . . . 0.559 HD22 HG11 ' C' ' 3' ' ' VAL . 45.5 tp -126.49 124.73 40.73 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.753 0.311 . . . . 0.0 110.728 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -135.97 116.48 13.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.214 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Q' Q ' 7' ' ' ILE . . . . . 0.632 ' H ' HD12 ' Q' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.234 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 1' ' ' ILE . . . . . 0.594 ' O ' HD13 ' U' ' 1' ' ' ILE . 75.3 mt . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -114.37 122.25 46.08 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 3' ' ' VAL . . . . . 0.667 HG11 HD13 ' E' ' 5' ' ' LEU . 43.1 t -119.28 122.22 68.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 177.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.64 130.65 55.98 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.775 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 5' ' ' LEU . . . . . 1.073 HD11 HD11 ' E' ' 5' ' ' LEU . 65.1 mt -122.35 116.9 24.85 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.815 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -125.29 106.92 10.21 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 mt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.222 -179.175 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' U' U ' 1' ' ' ILE . . . . . 0.594 HD13 ' O ' ' S' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -112.34 122.84 48.87 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 119.647 -0.821 . . . . 0.0 108.846 175.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 3' ' ' VAL . . . . . 0.528 HG11 HD22 ' G' ' 5' ' ' LEU . 65.2 t -116.58 125.52 73.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -118.06 129.48 55.58 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 5' ' ' LEU . . . . . 0.52 HD22 HG11 ' G' ' 3' ' ' VAL . 46.1 tp -126.35 123.79 38.8 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.904 0.383 . . . . 0.0 110.78 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -134.96 112.44 10.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.343 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' U' U ' 7' ' ' ILE . . . . . 0.561 ' H ' HD12 ' U' ' 7' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.305 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 1' ' ' ILE . . . . . 0.521 HG23 HG22 ' U' ' 1' ' ' ILE . 70.6 mt . . . . . 0 N--CA 1.493 1.711 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -113.6 122.39 47.08 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 3' ' ' VAL . . . . . 0.685 HG11 HD13 ' I' ' 5' ' ' LEU . 44.5 t -119.16 122.08 68.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.45 129.83 55.61 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 118.312 0.505 . . . . 0.0 111.719 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 5' ' ' LEU . . . . . 1.048 HD11 HD11 ' I' ' 5' ' ' LEU . 62.6 mt -122.39 112.37 18.0 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.087 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 6' ' ' GLN . . . . . 0.495 ' O ' HD12 ' U' ' 7' ' ' ILE . 52.3 tt0 -120.76 107.22 12.49 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 mt . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.517 -179.437 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' Y' Y ' 1' ' ' ILE . . . . . 0.448 HD13 ' O ' ' W' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -110.4 122.71 48.36 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 67.4 t -116.43 125.87 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -118.21 129.9 55.76 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 5' ' ' LEU . . . . . 0.402 ' HG ' HD11 ' Y' ' 7' ' ' ILE . 43.3 tp -126.56 123.99 38.96 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.891 0.377 . . . . 0.0 110.823 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -135.82 108.97 7.72 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.05 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 7' ' ' ILE . . . . . 0.522 ' H ' HD12 ' Y' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.22 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -113.15 122.86 48.79 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.7 t -117.88 122.23 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.54 131.32 56.22 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 120.607 0.241 . . . . 0.0 111.18 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.471 HD12 ' CG1' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -137.32 112.87 9.41 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.333 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -112.43 113.44 25.63 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.471 ' CG1' HD12 ' A' ' 5' ' ' LEU . 6.3 mt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.016 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.81 124.63 52.39 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -114.83 125.28 72.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -118.07 129.23 55.44 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . 0.48 ' HB3' HD22 ' E' ' 5' ' ' LEU . 0.0 OUTLIER -138.12 119.26 14.5 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.932 0.396 . . . . 0.0 110.036 -179.263 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -120.87 112.23 18.53 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.098 -179.003 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.15 123.25 49.79 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.407 HG11 ' HG ' ' S' ' 5' ' ' LEU . 49.1 t -117.77 121.88 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -118.74 130.4 55.79 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-O 120.885 0.374 . . . . 0.0 111.107 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 5' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' C' ' 5' ' ' LEU . 0.0 OUTLIER -134.91 113.25 11.35 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.793 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -113.92 115.25 27.38 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 7' ' ' ILE . . . . . 0.47 ' CG1' HD12 ' E' ' 5' ' ' LEU . 4.5 mt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.055 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 94.9 mt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -110.13 124.75 52.1 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 65.5 t -114.87 125.3 72.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -117.97 128.73 55.08 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 5' ' ' LEU . . . . . 0.476 ' HB3' HD22 ' I' ' 5' ' ' LEU . 0.0 OUTLIER -136.39 118.6 15.54 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.825 0.345 . . . . 0.0 110.119 -179.079 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -120.85 110.96 16.95 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.193 -179.243 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -113.06 123.54 50.53 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.409 HG11 ' HG ' ' W' ' 5' ' ' LEU . 47.7 t -117.71 122.17 69.16 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -118.53 130.12 55.74 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.29 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 5' ' ' LEU . . . . . 0.48 HD12 ' CG1' ' I' ' 7' ' ' ILE . 0.0 OUTLIER -134.18 112.07 10.8 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.992 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -113.34 116.68 30.07 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 7' ' ' ILE . . . . . 0.48 ' CG1' HD12 ' I' ' 5' ' ' LEU . 4.5 mt . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.218 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 95.1 mt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -107.71 125.3 51.21 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 65.0 t -114.7 125.5 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -118.11 129.37 55.5 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.35 119.2 16.24 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -178.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -122.53 108.57 13.3 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.15 -179.151 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -112.35 123.0 49.33 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 48.0 t -117.93 122.28 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.57 131.19 56.21 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 120.66 0.267 . . . . 0.0 111.135 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 5' ' ' LEU . . . . . 0.459 HD12 ' CG1' ' O' ' 7' ' ' ILE . 0.0 OUTLIER -137.12 112.52 9.27 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.379 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -111.97 113.69 26.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 7' ' ' ILE . . . . . 0.459 ' CG1' HD12 ' O' ' 5' ' ' LEU . 6.0 mt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.088 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 94.3 mt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.83 124.56 52.27 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 68.5 t -114.77 125.27 72.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.18 129.19 55.36 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 5' ' ' LEU . . . . . 0.496 ' HB3' HD22 ' S' ' 5' ' ' LEU . 0.0 OUTLIER -138.22 119.07 14.18 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.174 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -120.51 112.28 18.74 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Q' Q ' 7' ' ' ILE . . . . . 0.403 HD13 HG21 ' Q' ' 7' ' ' ILE . 7.3 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.08 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.34 123.33 49.86 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 3' ' ' VAL . . . . . 0.418 HG11 ' HG ' ' E' ' 5' ' ' LEU . 47.9 t -117.89 121.95 68.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -118.69 130.35 55.79 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-O 120.849 0.357 . . . . 0.0 111.052 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 5' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' Q' ' 5' ' ' LEU . 0.0 OUTLIER -134.86 112.8 10.97 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.76 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -113.42 115.54 28.22 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 7' ' ' ILE . . . . . 0.475 ' CG1' HD12 ' S' ' 5' ' ' LEU . 4.7 mt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.007 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 93.3 mt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.17 124.81 52.23 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 67.2 t -114.93 125.4 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -118.0 128.78 55.12 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 5' ' ' LEU . . . . . 0.472 ' HB3' HD22 ' W' ' 5' ' ' LEU . 0.0 OUTLIER -136.67 118.46 15.1 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.889 0.376 . . . . 0.0 110.114 -179.139 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -120.63 111.21 17.36 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.234 -179.291 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -113.17 123.54 50.46 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 3' ' ' VAL . . . . . 0.411 HG11 ' HG ' ' I' ' 5' ' ' LEU . 47.2 t -117.62 122.15 69.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -118.48 129.94 55.66 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.185 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 5' ' ' LEU . . . . . 0.487 HD12 ' CG1' ' W' ' 7' ' ' ILE . 0.0 OUTLIER -134.15 111.92 10.7 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.028 179.721 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -113.15 116.89 30.54 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 7' ' ' ILE . . . . . 0.487 ' CG1' HD12 ' W' ' 5' ' ' LEU . 4.4 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.12 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -107.6 125.06 50.85 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 67.1 t -114.71 125.42 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -117.87 129.62 55.76 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.6 119.86 16.76 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.798 0.333 . . . . 0.0 110.203 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -122.83 108.7 13.3 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.085 -0.96 . . . . 0.0 110.086 -179.131 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.501 HG21 HD12 ' O' ' 7' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.527 0.68 . . . . 0.0 109.446 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -113.9 122.66 47.68 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.432 HG21 ' CD2' ' O' ' 5' ' ' LEU . 62.5 t -118.02 121.77 68.09 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.53 131.56 56.22 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 120.662 0.268 . . . . 0.0 111.179 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.436 ' CD2' HG21 ' O' ' 3' ' ' VAL . 63.1 tp -120.11 121.51 39.0 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.312 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -129.39 116.72 19.46 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 177.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.495 HD12 HG21 ' O' ' 1' ' ' ILE . 48.5 pt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.893 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -111.79 123.89 51.2 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.635 HG11 HD13 ' Q' ' 5' ' ' LEU . 58.5 t -115.7 125.09 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 177.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.98 130.19 55.56 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . 0.654 HD13 HG11 ' Q' ' 3' ' ' VAL . 73.1 mt -121.83 125.22 45.99 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -138.32 115.74 11.2 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.51 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 1' ' ' ILE . . . . . 0.438 HG21 HD12 ' S' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.368 0.604 . . . . 0.0 109.557 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -114.18 122.58 47.24 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.04 121.23 66.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.8 131.4 56.1 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-O 120.583 0.23 . . . . 0.0 111.216 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 5' ' ' LEU . . . . . 0.403 HD11 ' CG2' ' E' ' 7' ' ' ILE . 62.8 tp -120.02 121.72 39.55 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.087 0.47 . . . . 0.0 110.828 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.8 116.34 18.58 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 7' ' ' ILE . . . . . 0.431 HD12 HG21 ' S' ' 1' ' ' ILE . 44.5 pt . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.959 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -111.23 124.08 51.5 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.614 HG11 HD13 ' U' ' 5' ' ' LEU . 57.7 t -115.54 125.04 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.8 129.96 55.52 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 5' ' ' LEU . . . . . 0.624 HD13 HG11 ' U' ' 3' ' ' VAL . 73.0 mt -121.53 124.35 44.18 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.767 0.318 . . . . 0.0 110.145 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -137.54 115.55 11.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.544 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -114.0 122.64 47.55 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 61.0 t -118.09 121.22 66.74 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -119.0 131.34 56.0 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.512 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 5' ' ' LEU . . . . . 0.408 HD11 ' CG2' ' I' ' 7' ' ' ILE . 61.7 tp -119.76 121.2 38.64 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.023 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.43 115.37 17.4 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 7' ' ' ILE . . . . . 0.408 ' CG2' HD11 ' I' ' 5' ' ' LEU . 39.6 pt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.076 -0.964 . . . . 0.0 111.023 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -109.03 124.42 50.7 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.492 HG11 HD13 ' Y' ' 5' ' ' LEU . 62.6 t -115.18 124.97 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -118.77 130.02 55.56 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 5' ' ' LEU . . . . . 0.491 HD13 HG11 ' Y' ' 3' ' ' VAL . 76.5 mt -120.66 123.48 42.88 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.846 0.355 . . . . 0.0 110.409 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -137.5 115.79 11.82 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.452 -178.727 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' O' O ' 1' ' ' ILE . . . . . 0.495 HG21 HD12 ' A' ' 7' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.487 0.661 . . . . 0.0 109.485 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -113.87 122.59 47.48 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 3' ' ' VAL . . . . . 0.436 HG21 ' CD2' ' A' ' 5' ' ' LEU . 62.5 t -117.98 121.76 68.08 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.46 131.53 56.26 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-O 120.655 0.264 . . . . 0.0 111.216 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 5' ' ' LEU . . . . . 0.432 ' CD2' HG21 ' A' ' 3' ' ' VAL . 62.9 tp -120.1 121.55 39.09 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.307 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -129.39 116.68 19.39 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 7' ' ' ILE . . . . . 0.501 HD12 HG21 ' A' ' 1' ' ' ILE . 48.6 pt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.92 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -111.77 123.93 51.28 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 3' ' ' VAL . . . . . 0.654 HG11 HD13 ' C' ' 5' ' ' LEU . 58.4 t -115.71 125.03 72.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.87 130.26 55.64 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 5' ' ' LEU . . . . . 0.635 HD13 HG11 ' C' ' 3' ' ' VAL . 73.7 mt -121.88 125.24 45.98 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -138.32 115.77 11.23 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.471 0.585 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.496 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 1' ' ' ILE . . . . . 0.431 HG21 HD12 ' E' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.334 0.587 . . . . 0.0 109.512 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -114.16 122.61 47.34 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.08 121.27 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.83 131.43 56.08 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 120.553 0.216 . . . . 0.0 111.15 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 5' ' ' LEU . . . . . 0.401 HD11 ' CG2' ' S' ' 7' ' ' ILE . 63.0 tp -120.0 121.68 39.48 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.018 0.437 . . . . 0.0 110.831 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.83 116.34 18.56 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 7' ' ' ILE . . . . . 0.438 HD12 HG21 ' E' ' 1' ' ' ILE . 44.8 pt . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.927 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -111.18 124.1 51.52 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 3' ' ' VAL . . . . . 0.624 HG11 HD13 ' G' ' 5' ' ' LEU . 57.7 t -115.49 125.07 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -118.83 130.05 55.55 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 5' ' ' LEU . . . . . 0.614 HD13 HG11 ' G' ' 3' ' ' VAL . 72.9 mt -121.59 124.33 44.1 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 120.774 0.321 . . . . 0.0 110.146 179.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -137.53 115.51 11.56 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.571 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 1' ' ' ILE . . . . . 0.405 HG21 HD12 ' I' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -113.95 122.71 47.8 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 60.1 t -118.12 121.27 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.93 131.26 56.03 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.36 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 5' ' ' LEU . . . . . 0.407 HD11 ' CG2' ' W' ' 7' ' ' ILE . 61.9 tp -119.91 121.04 38.15 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.058 0.456 . . . . 0.0 110.99 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.36 115.44 17.55 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 7' ' ' ILE . . . . . 0.407 ' CG2' HD11 ' W' ' 5' ' ' LEU . 39.9 pt . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.993 -1.003 . . . . 0.0 111.035 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -108.92 124.46 50.71 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 3' ' ' VAL . . . . . 0.491 HG11 HD13 ' K' ' 5' ' ' LEU . 61.5 t -115.19 124.96 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -118.68 130.04 55.62 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 5' ' ' LEU . . . . . 0.492 HD13 HG11 ' K' ' 3' ' ' VAL . 76.1 mt -120.69 123.43 42.73 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 120.815 0.34 . . . . 0.0 110.389 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -137.48 115.99 12.01 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.454 -178.714 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.403 ' CD1' HD12 ' O' ' 7' ' ' ILE . 95.8 mt . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -113.46 122.79 48.36 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.4 t -118.32 122.77 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.16 131.58 56.39 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 121.023 0.439 . . . . 0.0 112.129 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.516 HD11 ' CG2' ' A' ' 7' ' ' ILE . 48.9 tp -118.68 121.71 40.77 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.489 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -137.77 107.15 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.516 ' CG2' HD11 ' A' ' 5' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.468 0.437 0 CA-C-O 117.887 -1.054 . . . . 0.0 109.939 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' ILE . . . . . 0.446 HD13 HD11 ' O' ' 7' ' ' ILE . 91.1 mt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -111.36 123.96 51.27 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 67.1 t -115.55 125.31 72.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.13 128.96 55.24 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . 0.658 HD11 HD11 ' Q' ' 5' ' ' LEU . 18.7 mt -123.75 111.54 16.27 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.392 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -127.38 115.2 18.58 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 pt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.111 -0.947 . . . . 0.0 110.283 -179.347 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.51 122.82 48.42 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -118.35 122.14 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -118.53 130.77 56.1 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 5' ' ' LEU . . . . . 0.512 HD11 ' CG2' ' E' ' 7' ' ' ILE . 51.2 tp -117.81 120.77 38.92 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.234 178.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -136.57 107.46 6.66 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 7' ' ' ILE . . . . . 0.544 HD11 HD13 ' U' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.469 0.505 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.837 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 1' ' ' ILE . . . . . 0.543 HD13 HD11 ' S' ' 7' ' ' ILE . 87.9 mt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.46 124.11 51.15 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 74.1 t -115.36 125.27 72.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.583 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -117.96 128.74 55.09 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 5' ' ' LEU . . . . . 0.599 HD11 HD11 ' U' ' 5' ' ' LEU . 23.2 mt -122.76 111.05 16.24 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.523 -178.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -126.93 115.69 19.66 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.315 0.578 . . . . 0.0 109.467 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 pt . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.325 -179.198 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -113.1 122.78 48.57 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -118.25 122.0 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -118.45 130.7 56.1 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 5' ' ' LEU . . . . . 0.507 HD11 ' CG2' ' I' ' 7' ' ' ILE . 53.4 tp -117.5 119.4 34.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.325 178.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -135.17 106.97 6.99 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 7' ' ' ILE . . . . . 0.539 HD11 HD13 ' Y' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.241 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 1' ' ' ILE . . . . . 0.52 HD13 HD11 ' W' ' 7' ' ' ILE . 89.4 mt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -107.72 124.28 49.78 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 86.1 t -115.2 125.48 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -117.81 128.84 55.25 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 5' ' ' LEU . . . . . 0.418 HD11 HD11 ' Y' ' 5' ' ' LEU . 42.2 mt -121.3 111.31 17.2 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.598 0.237 . . . . 0.0 110.557 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -128.62 114.29 16.49 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 46.2 pt . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.497 -179.105 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' O' O ' 1' ' ' ILE . . . . . 0.42 ' CD1' HD12 ' A' ' 7' ' ' ILE . 95.8 mt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -113.59 122.81 48.35 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -118.17 122.68 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.19 131.51 56.38 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-O 120.948 0.404 . . . . 0.0 112.021 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 5' ' ' LEU . . . . . 0.501 HD11 ' CG2' ' O' ' 7' ' ' ILE . 50.6 tp -118.78 121.88 41.11 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.561 178.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -137.65 107.14 6.15 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 7' ' ' ILE . . . . . 0.501 ' CG2' HD11 ' O' ' 5' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.511 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.034 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 1' ' ' ILE . . . . . 0.474 HD13 HD11 ' A' ' 7' ' ' ILE . 89.1 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -111.55 123.99 51.36 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 67.4 t -115.49 125.35 72.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -118.15 128.95 55.21 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 5' ' ' LEU . . . . . 0.658 HD11 HD11 ' C' ' 5' ' ' LEU . 18.5 mt -123.77 111.3 15.98 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 121.135 -0.226 . . . . 0.0 110.443 -178.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -127.07 114.65 18.03 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 pt . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.235 -179.368 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -113.72 122.83 48.31 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t -118.33 122.05 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -118.5 130.8 56.13 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 5' ' ' LEU . . . . . 0.504 HD11 ' CG2' ' S' ' 7' ' ' ILE . 52.8 tp -117.97 120.66 38.51 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.207 178.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -136.48 107.33 6.64 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 7' ' ' ILE . . . . . 0.543 HD11 HD13 ' G' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.91 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' U' U ' 1' ' ' ILE . . . . . 0.544 HD13 HD11 ' E' ' 7' ' ' ILE . 86.8 mt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.29 123.89 50.64 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -115.27 125.17 72.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -118.02 128.7 55.03 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 5' ' ' LEU . . . . . 0.599 HD11 HD11 ' G' ' 5' ' ' LEU . 22.8 mt -122.98 110.61 15.59 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.541 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -126.37 115.75 20.12 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 45.8 pt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.397 -179.3 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -113.26 122.89 48.82 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -118.2 122.07 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -118.4 130.53 56.04 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 5' ' ' LEU . . . . . 0.509 HD11 ' CG2' ' W' ' 7' ' ' ILE . 51.9 tp -117.71 119.23 34.3 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.313 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -135.14 106.99 7.01 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 7' ' ' ILE . . . . . 0.52 HD11 HD13 ' K' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.413 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Y' Y ' 1' ' ' ILE . . . . . 0.539 HD13 HD11 ' I' ' 7' ' ' ILE . 86.3 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -107.73 124.13 49.56 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 82.3 t -115.37 125.61 72.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -117.88 129.07 55.41 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 5' ' ' LEU . . . . . 0.418 HD11 HD11 ' K' ' 5' ' ' LEU . 43.4 mt -121.4 110.78 16.5 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.622 0.249 . . . . 0.0 110.495 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -128.15 114.12 16.6 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 46.7 pt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.34 -179.012 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -113.63 123.71 50.58 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.39 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.8 122.75 70.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.6 130.99 56.19 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 120.63 0.253 . . . . 0.0 110.886 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.66 108.99 7.81 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.845 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -106.46 111.54 24.15 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.8 mt . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.237 -179.421 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -111.33 123.08 49.48 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.439 HG23 ' O ' ' C' ' 3' ' ' VAL . 34.9 m -116.59 125.69 73.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -118.62 129.48 55.34 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . 0.414 ' HB2' HD22 ' E' ' 5' ' ' LEU . 4.3 mp -135.59 128.9 32.04 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.805 0.336 . . . . 0.0 110.538 178.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -122.84 109.5 14.26 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.629 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 76.9 mt . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.36 179.872 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.56 124.29 52.0 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.64 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.417 HG11 ' HG ' ' S' ' 5' ' ' LEU . 45.4 t -117.79 122.7 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.45 130.56 56.03 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 120.95 0.405 . . . . 0.0 110.95 176.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 5' ' ' LEU . . . . . 0.425 ' HG ' HG11 ' S' ' 3' ' ' VAL . 0.0 OUTLIER -135.18 107.7 7.37 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.944 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -106.93 113.48 26.99 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.674 -0.41 . . . . 0.0 109.998 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 24.3 mt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.21 -179.235 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 93.2 mt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -110.91 123.37 50.02 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.424 ' O ' HG23 ' G' ' 3' ' ' VAL . 34.8 m -115.98 126.09 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 176.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -118.53 129.43 55.35 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 5' ' ' LEU . . . . . 0.473 ' HB2' HD22 ' I' ' 5' ' ' LEU . 4.5 mp -135.92 128.49 30.64 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.702 0.287 . . . . 0.0 110.548 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -122.46 109.16 14.02 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.836 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 79.3 mt . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.442 179.866 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 93.7 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -113.84 124.25 51.78 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.053 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.498 HG11 ' HG ' ' W' ' 5' ' ' LEU . 42.8 t -117.75 122.59 70.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.484 177.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.39 130.17 55.83 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-O 120.961 0.41 . . . . 0.0 111.082 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 5' ' ' LEU . . . . . 0.484 ' HG ' HG11 ' W' ' 3' ' ' VAL . 0.0 OUTLIER -134.92 107.12 7.18 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.812 179.692 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -106.51 113.99 27.83 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.117 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.259 -179.257 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 89.1 mt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -110.09 124.72 52.0 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.459 ' O ' HG23 ' K' ' 3' ' ' VAL . 35.9 m -115.5 125.82 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -118.31 129.58 55.53 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -136.12 127.53 28.49 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.534 0.207 . . . . 0.0 110.538 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -122.12 107.55 12.31 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 79.5 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.348 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.51 123.77 50.8 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -117.7 122.75 70.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.26 130.91 56.33 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 120.743 0.306 . . . . 0.0 110.993 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 5' ' ' LEU . . . . . 0.407 ' HA ' HD13 ' O' ' 5' ' ' LEU . 0.0 OUTLIER -135.75 110.11 8.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.712 179.673 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -108.19 111.02 22.8 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.226 -179.342 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -110.94 122.91 49.07 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 3' ' ' VAL . . . . . 0.434 HG23 ' O ' ' Q' ' 3' ' ' VAL . 34.8 m -116.39 126.0 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 176.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -118.66 129.76 55.48 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 5' ' ' LEU . . . . . 0.44 ' HB2' HD22 ' S' ' 5' ' ' LEU . 4.3 mp -136.49 127.46 27.66 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.805 0.336 . . . . 0.0 110.626 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -121.69 109.56 14.88 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.672 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.378 179.796 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -113.55 124.11 51.58 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.094 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 3' ' ' VAL . . . . . 0.425 HG11 ' HG ' ' E' ' 5' ' ' LEU . 44.2 t -117.76 122.67 70.33 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.036 178.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.91 130.21 55.6 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-O 120.887 0.375 . . . . 0.0 110.862 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 5' ' ' LEU . . . . . 0.44 HD22 ' HB2' ' Q' ' 5' ' ' LEU . 0.0 OUTLIER -134.32 108.62 8.31 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.872 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -107.62 113.03 26.05 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.278 -179.248 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 93.0 mt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -110.74 123.38 49.93 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' U' U ' 3' ' ' VAL . . . . . 0.429 ' O ' HG23 ' U' ' 3' ' ' VAL . 34.8 m -116.1 125.71 73.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 176.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -118.13 129.43 55.53 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' U' U ' 5' ' ' LEU . . . . . 0.47 ' HB2' HD22 ' W' ' 5' ' ' LEU . 4.5 mp -135.92 127.48 28.79 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.742 0.306 . . . . 0.0 110.711 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -121.57 109.15 14.44 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.849 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--O 1.222 -0.367 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.417 179.8 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 94.1 mt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -113.5 124.02 51.39 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 3' ' ' VAL . . . . . 0.484 HG11 ' HG ' ' I' ' 5' ' ' LEU . 44.6 t -117.8 122.36 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.31 177.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.54 130.44 55.91 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 120.925 0.393 . . . . 0.0 111.002 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 5' ' ' LEU . . . . . 0.498 ' HG ' HG11 ' I' ' 3' ' ' VAL . 0.0 OUTLIER -135.77 107.1 6.82 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.922 179.734 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -106.75 114.16 28.09 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.218 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.236 -179.286 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -110.09 124.68 51.94 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Y' Y ' 3' ' ' VAL . . . . . 0.449 HG23 ' O ' ' Y' ' 3' ' ' VAL . 35.3 m -115.55 125.78 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.26 129.65 55.59 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -136.14 127.82 28.98 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 121.232 -0.187 . . . . 0.0 110.571 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -122.76 106.98 11.4 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 81.3 mt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.335 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.419 HG21 HD13 ' O' ' 7' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.529 0.681 . . . . 0.0 109.922 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -113.72 123.37 49.72 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.539 HG11 HD13 ' O' ' 5' ' ' LEU . 65.7 t -117.35 122.07 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.46 131.21 56.27 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 120.453 0.168 . . . . 0.0 110.718 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.448 HD11 HD11 ' O' ' 5' ' ' LEU . 53.3 mt -115.75 111.47 20.6 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -126.52 105.57 8.84 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.809 ' O ' HD12 ' A' ' 7' ' ' ILE . 1.5 pp . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.115 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 89.5 mt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -111.72 122.75 48.64 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 60.0 t -116.5 125.44 73.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.31 130.05 55.81 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . 0.5 HD23 ' N ' ' C' ' 6' ' ' GLN . 1.5 tt -115.93 117.15 29.35 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . 0.5 ' N ' HD23 ' C' ' 5' ' ' LEU . 51.0 tt0 -137.54 120.47 16.5 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.251 0.548 . . . . 0.0 110.674 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pt . . . . . 0 N--CA 1.471 0.605 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.729 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 1' ' ' ILE . . . . . 0.545 HG21 HD13 ' S' ' 7' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.48 0.657 . . . . 0.0 109.962 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -114.38 123.29 49.1 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.846 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 75.4 t -117.58 121.8 68.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.67 131.11 56.16 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.0 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 5' ' ' LEU . . . . . 0.474 HD11 HD11 ' S' ' 5' ' ' LEU . 43.8 mt -114.94 113.4 24.09 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.448 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -129.44 105.24 7.96 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.605 0.717 . . . . 0.0 109.334 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 7' ' ' ILE . . . . . 0.818 ' O ' HD12 ' E' ' 7' ' ' ILE . 1.3 pp . . . . . 0 C--O 1.218 -0.584 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.911 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 1' ' ' ILE . . . . . 0.568 HD13 HD11 ' S' ' 7' ' ' ILE . 86.9 mt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -111.29 123.08 49.49 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -116.28 125.4 73.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -118.03 129.83 55.81 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 5' ' ' LEU . . . . . 0.49 HD23 ' N ' ' G' ' 6' ' ' GLN . 1.5 tt -115.27 116.8 28.91 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 6' ' ' GLN . . . . . 0.49 ' N ' HD23 ' G' ' 5' ' ' LEU . 50.6 tt0 -137.7 119.42 15.11 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.458 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 7' ' ' ILE . . . . . 0.417 HD11 ' HB ' ' I' ' 7' ' ' ILE . 1.9 pt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 1' ' ' ILE . . . . . 0.508 HG21 HD13 ' W' ' 7' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.258 0.551 . . . . 0.0 109.826 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -114.4 123.43 49.44 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.978 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 98.2 t -117.72 121.89 68.51 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -118.6 130.92 56.15 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.306 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 5' ' ' LEU . . . . . 0.445 HD11 HD11 ' W' ' 5' ' ' LEU . 43.5 mt -114.38 112.72 23.5 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.835 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -129.46 104.85 7.71 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 121.587 0.708 . . . . 0.0 109.638 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 7' ' ' ILE . . . . . 0.838 ' O ' HD12 ' I' ' 7' ' ' ILE . 1.3 pp . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.903 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 1' ' ' ILE . . . . . 0.669 HD13 HD11 ' W' ' 7' ' ' ILE . 89.6 mt . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -107.84 123.88 49.25 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 57.9 t -115.71 125.46 72.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -117.97 129.89 55.87 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 5' ' ' LEU . . . . . 0.467 HD23 ' N ' ' K' ' 6' ' ' GLN . 1.5 tt -114.61 115.5 27.26 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 6' ' ' GLN . . . . . 0.467 ' N ' HD23 ' K' ' 5' ' ' LEU . 50.5 tt0 -138.01 119.64 15.05 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.205 0.526 . . . . 0.0 110.343 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 pt . . . . . 0 C--O 1.222 -0.393 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.601 -179.337 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.534 0.683 . . . . 0.0 109.834 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -113.75 123.45 49.88 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 3' ' ' VAL . . . . . 0.408 HG11 HD13 ' A' ' 5' ' ' LEU . 67.0 t -117.23 122.11 69.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.5 131.3 56.25 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 120.558 0.218 . . . . 0.0 110.62 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 5' ' ' LEU . . . . . 0.539 HD13 HG11 ' A' ' 3' ' ' VAL . 58.0 mt -116.3 110.2 18.41 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -125.17 106.15 9.68 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 7' ' ' ILE . . . . . 0.817 ' O ' HD12 ' O' ' 7' ' ' ILE . 1.6 pp . . . . . 0 N--CA 1.47 0.554 0 CA-C-O 117.93 -1.033 . . . . 0.0 111.195 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 1' ' ' ILE . . . . . 0.474 HD13 HD11 ' A' ' 7' ' ' ILE . 85.7 mt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -111.78 122.99 49.29 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 60.9 t -116.7 125.44 73.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -118.16 130.3 56.02 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Q' Q ' 5' ' ' LEU . . . . . 0.49 HD23 ' N ' ' Q' ' 6' ' ' GLN . 1.5 tt -116.59 115.84 26.47 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 6' ' ' GLN . . . . . 0.49 ' N ' HD23 ' Q' ' 5' ' ' LEU . 51.0 tt0 -136.08 120.88 18.53 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.165 0.507 . . . . 0.0 110.539 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 N--CA 1.471 0.589 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.722 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' S' S ' 1' ' ' ILE . . . . . 0.561 HG21 HD13 ' E' ' 7' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 121.537 0.684 . . . . 0.0 109.949 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -114.54 123.4 49.29 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.936 177.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 79.9 t -117.47 121.86 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.56 131.12 56.21 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.903 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 5' ' ' LEU . . . . . 0.474 HD11 HD11 ' E' ' 5' ' ' LEU . 45.2 mt -115.34 112.7 22.77 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.637 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -128.87 105.4 8.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.56 0.695 . . . . 0.0 109.23 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 7' ' ' ILE . . . . . 0.827 ' O ' HD12 ' S' ' 7' ' ' ILE . 1.3 pp . . . . . 0 C--O 1.218 -0.589 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.88 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' U' U ' 1' ' ' ILE . . . . . 0.626 HD13 HD11 ' E' ' 7' ' ' ILE . 84.4 mt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -110.99 123.29 49.9 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -116.33 125.44 73.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -117.88 130.0 55.98 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' U' U ' 5' ' ' LEU . . . . . 0.49 HD23 ' N ' ' U' ' 6' ' ' GLN . 1.4 tt -115.82 116.0 27.25 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' U' U ' 6' ' ' GLN . . . . . 0.49 ' N ' HD23 ' U' ' 5' ' ' LEU . 50.5 tt0 -137.24 119.64 15.83 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.131 0.491 . . . . 0.0 110.456 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 N--CA 1.469 0.498 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.79 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' W' W ' 1' ' ' ILE . . . . . 0.562 HG21 HD13 ' I' ' 7' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.255 0.55 . . . . 0.0 109.816 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -114.39 123.57 49.8 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.248 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 97.4 t -117.53 121.94 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -118.44 131.02 56.28 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.147 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 5' ' ' LEU . . . . . 0.445 HD11 HD11 ' I' ' 5' ' ' LEU . 43.9 mt -114.73 111.99 22.13 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.665 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -129.11 104.58 7.64 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 121.653 0.739 . . . . 0.0 109.382 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 7' ' ' ILE . . . . . 0.841 ' O ' HD12 ' W' ' 7' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.218 -0.561 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.473 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Y' Y ' 1' ' ' ILE . . . . . 0.595 HD13 HD11 ' I' ' 7' ' ' ILE . 90.1 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -107.76 123.78 49.05 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -115.96 125.46 73.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -117.85 130.09 56.05 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Y' Y ' 5' ' ' LEU . . . . . 0.46 HD23 ' N ' ' Y' ' 6' ' ' GLN . 1.5 tt -114.56 116.16 28.34 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Y' Y ' 6' ' ' GLN . . . . . 0.46 ' N ' HD23 ' Y' ' 5' ' ' LEU . 50.6 tt0 -138.58 119.52 14.35 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.278 0.561 . . . . 0.0 110.326 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 pt . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.478 -179.34 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -113.9 123.2 49.19 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.586 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -117.83 120.89 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -120.33 134.46 55.26 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.24 118.9 9.78 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.283 0.563 . . . . 0.0 109.978 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -108.75 112.11 24.23 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.547 ' HB ' HG22 ' C' ' 7' ' ' ILE . 14.5 mm . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.974 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -111.57 123.57 50.5 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -116.08 124.49 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -119.83 130.62 54.99 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' E' ' 5' ' ' LEU . 0.3 OUTLIER -144.54 125.38 14.29 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.744 178.294 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -116.33 113.78 23.42 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.708 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.547 HG22 ' HB ' ' A' ' 7' ' ' ILE . 28.2 pt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.46 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 98.0 mt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -114.34 123.23 48.99 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.016 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 59.2 t -118.16 120.53 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.6 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.63 132.85 55.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 5' ' ' LEU . . . . . 0.437 ' HB3' HD11 ' C' ' 5' ' ' LEU . 0.3 OUTLIER -142.32 121.6 13.08 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.517 0.675 . . . . 0.0 111.016 177.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -110.59 114.35 27.69 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.224 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 7' ' ' ILE . . . . . 0.524 ' HB ' HG22 ' G' ' 7' ' ' ILE . 11.6 mm . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.138 -0.934 . . . . 0.0 109.965 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -110.96 123.76 50.8 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -115.96 124.45 72.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -119.73 130.37 54.96 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 5' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' I' ' 5' ' ' LEU . 0.3 OUTLIER -144.99 126.67 15.2 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.544 0.688 . . . . 0.0 110.92 178.258 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -117.41 114.25 23.25 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.888 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 7' ' ' ILE . . . . . 0.524 HG22 ' HB ' ' E' ' 7' ' ' ILE . 27.5 pt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.602 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 97.6 mt . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -114.21 123.31 49.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.339 -0.391 . . . . 0.0 109.98 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -118.03 120.29 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.72 131.66 54.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 5' ' ' LEU . . . . . 0.483 ' HB3' HD11 ' G' ' 5' ' ' LEU . 0.3 OUTLIER -141.21 122.03 14.42 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.345 0.593 . . . . 0.0 111.072 178.073 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -110.51 114.81 28.53 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.445 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 10.9 mm . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.103 -179.903 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 88.1 mt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -107.79 124.21 49.72 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 69.0 t -115.55 124.77 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -119.47 130.81 55.42 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.0 129.34 17.79 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.04 0.448 . . . . 0.0 110.869 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -121.15 115.87 23.89 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.7 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 32.9 pt . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.244 -179.83 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 97.4 mt . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -113.89 123.3 49.43 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.56 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 62.1 t -117.77 120.91 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 120.369 -0.532 . . . . 0.0 109.71 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -120.41 134.37 55.28 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.34 119.61 10.2 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.34 0.591 . . . . 0.0 110.045 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -108.97 112.23 24.32 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 7' ' ' ILE . . . . . 0.536 ' HB ' HG22 ' Q' ' 7' ' ' ILE . 14.9 mm . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.014 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 93.4 mt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -111.98 123.5 50.39 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -116.13 124.34 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -119.85 130.61 54.96 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.2 126.2 15.42 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.572 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -116.88 114.1 23.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.62 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Q' Q ' 7' ' ' ILE . . . . . 0.536 HG22 ' HB ' ' O' ' 7' ' ' ILE . 26.6 pt . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.417 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 98.0 mt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -114.56 123.4 49.27 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.111 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -118.09 120.44 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.53 176.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.7 132.22 54.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.62 122.34 14.32 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.481 0.658 . . . . 0.0 110.848 178.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -111.14 114.26 27.38 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.192 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 7' ' ' ILE . . . . . 0.533 ' HB ' HG22 ' U' ' 7' ' ' ILE . 11.5 mm . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.936 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 91.9 mt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -111.28 123.87 51.08 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -116.03 124.36 72.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -119.71 130.28 54.93 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' U' U ' 5' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' W' ' 5' ' ' LEU . 0.3 OUTLIER -144.75 126.74 15.48 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.79 178.38 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -117.54 114.09 22.93 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.931 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' U' U ' 7' ' ' ILE . . . . . 0.533 HG22 ' HB ' ' S' ' 7' ' ' ILE . 26.7 pt . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.6 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 97.8 mt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -114.26 123.24 49.06 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.178 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -118.05 119.95 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.65 131.36 54.56 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 5' ' ' LEU . . . . . 0.478 ' HB3' HD11 ' U' ' 5' ' ' LEU . 0.3 OUTLIER -140.82 122.18 14.94 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.406 0.622 . . . . 0.0 111.139 178.326 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -110.89 114.89 28.57 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.459 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 mm . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.037 -179.835 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -107.87 124.15 49.66 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 68.6 t -115.63 124.74 72.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -119.37 130.94 55.59 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.27 128.88 17.11 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.052 0.453 . . . . 0.0 110.962 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -120.68 115.65 23.77 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.703 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 31.9 pt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.27 -179.803 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 97.9 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -113.4 122.11 46.37 Favored 'General case' 0 N--CA 1.436 -1.153 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.538 HG11 HD13 ' O' ' 5' ' ' LEU . 57.6 t -118.86 123.02 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -117.9 131.19 56.56 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 120.837 0.351 . . . . 0.0 111.946 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.668 HD11 HD11 ' O' ' 5' ' ' LEU . 64.9 mt -121.18 110.98 16.84 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -117.76 116.7 27.54 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.107 -178.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 85.1 mt . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.93 123.24 49.76 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 78.8 t -116.06 125.45 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.35 129.65 55.55 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . 0.574 HD21 HD11 ' C' ' 7' ' ' ILE . 46.2 tp -125.98 122.98 37.49 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.756 0.312 . . . . 0.0 110.185 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -130.68 119.26 22.14 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.574 HD11 HD21 ' C' ' 5' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.887 -1.054 . . . . 0.0 109.442 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -113.4 122.06 46.22 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.545 HG11 HD13 ' S' ' 5' ' ' LEU . 61.0 t -119.01 122.57 69.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -118.38 130.72 56.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 118.148 0.431 . . . . 0.0 111.799 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 5' ' ' LEU . . . . . 0.788 HD11 HD11 ' S' ' 5' ' ' LEU . 51.6 mt -120.5 110.58 16.64 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -117.8 117.49 29.46 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.017 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 83.5 mt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -110.32 123.4 49.76 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 66.1 t -115.82 125.48 72.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -118.16 129.72 55.68 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 5' ' ' LEU . . . . . 0.562 HD21 HD11 ' G' ' 7' ' ' ILE . 43.3 tp -126.36 122.62 35.9 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.801 0.334 . . . . 0.0 110.458 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -129.99 118.14 21.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.603 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 7' ' ' ILE . . . . . 0.562 HD11 HD21 ' G' ' 5' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.514 -179.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.81 122.24 46.46 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.536 HG11 HD13 ' W' ' 5' ' ' LEU . 60.2 t -118.85 122.28 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.45 130.72 56.12 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 118.339 0.518 . . . . 0.0 111.931 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 5' ' ' LEU . . . . . 0.84 HD11 HD11 ' W' ' 5' ' ' LEU . 46.2 mt -120.78 109.51 15.25 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.544 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -116.92 117.01 28.53 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 7' ' ' ILE . . . . . 0.402 HD13 HG21 ' I' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.139 -178.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 82.8 mt . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -107.7 123.77 49.01 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 72.4 t -115.6 125.8 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -117.87 129.96 55.96 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 121.199 -0.2 . . . . 0.0 110.462 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 5' ' ' LEU . . . . . 0.423 HD21 HD11 ' K' ' 7' ' ' ILE . 41.2 tp -126.66 123.09 36.76 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.771 0.32 . . . . 0.0 110.649 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -130.91 116.8 18.36 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 7' ' ' ILE . . . . . 0.423 HD11 HD21 ' K' ' 5' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.557 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 98.1 mt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -113.65 122.1 46.14 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 3' ' ' VAL . . . . . 0.54 HG11 HD13 ' A' ' 5' ' ' LEU . 56.9 t -118.81 122.94 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -117.81 131.22 56.6 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.901 0.382 . . . . 0.0 111.927 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 5' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 5' ' ' LEU . 64.6 mt -121.26 111.18 17.05 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -117.84 116.72 27.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 7' ' ' ILE . . . . . 0.41 HD13 HG21 ' O' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.118 -178.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 85.5 mt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -110.96 123.23 49.76 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 82.2 t -116.06 125.58 73.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -118.37 129.77 55.62 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 5' ' ' LEU . . . . . 0.586 HD21 HD11 ' Q' ' 7' ' ' ILE . 46.5 tp -126.18 123.12 37.52 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -130.96 119.29 21.88 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Q' Q ' 7' ' ' ILE . . . . . 0.586 HD11 HD21 ' Q' ' 5' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.422 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -113.68 122.14 46.24 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 3' ' ' VAL . . . . . 0.54 HG11 HD13 ' E' ' 5' ' ' LEU . 61.2 t -119.11 122.46 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.33 130.7 56.17 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 118.098 0.408 . . . . 0.0 111.733 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 5' ' ' LEU . . . . . 0.788 HD11 HD11 ' E' ' 5' ' ' LEU . 52.4 mt -120.57 110.4 16.4 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.539 179.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -117.63 117.52 29.6 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.918 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 84.0 mt . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -110.52 123.47 50.0 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 70.8 t -115.95 125.49 73.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -118.17 129.63 55.63 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' U' U ' 5' ' ' LEU . . . . . 0.574 HD21 HD11 ' U' ' 7' ' ' ILE . 42.3 tp -126.39 122.63 35.89 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.815 0.34 . . . . 0.0 110.389 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -129.92 118.33 21.5 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' U' U ' 7' ' ' ILE . . . . . 0.574 HD11 HD21 ' U' ' 5' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.603 -179.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.493 1.703 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -113.62 122.49 47.35 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 3' ' ' VAL . . . . . 0.512 HG11 HD13 ' I' ' 5' ' ' LEU . 61.1 t -118.9 122.32 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.42 130.51 56.01 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 118.276 0.489 . . . . 0.0 111.622 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 5' ' ' LEU . . . . . 0.84 HD11 HD11 ' I' ' 5' ' ' LEU . 48.7 mt -120.83 109.87 15.66 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -117.3 117.2 28.87 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.108 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -107.88 123.84 49.21 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 69.3 t -115.7 125.77 72.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -118.05 130.02 55.91 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.369 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Y' Y ' 5' ' ' LEU . . . . . 0.442 HD21 HD11 ' Y' ' 7' ' ' ILE . 41.5 tp -126.29 122.99 37.07 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.757 0.313 . . . . 0.0 110.698 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -130.98 116.22 17.54 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Y' Y ' 7' ' ' ILE . . . . . 0.442 HD11 HD21 ' Y' ' 5' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.553 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -114.15 122.09 45.75 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 3' ' ' VAL . 27.3 m -119.03 122.5 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.88 130.76 55.91 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 120.771 0.319 . . . . 0.0 111.847 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.602 HD11 HD11 ' O' ' 5' ' ' LEU . 87.4 mt -126.94 116.67 21.15 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -120.03 112.24 18.9 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.1 mm . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.389 -178.899 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -112.31 123.03 49.37 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.532 HG22 HG12 ' E' ' 3' ' ' VAL . 1.9 m -116.44 125.34 73.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 176.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -118.81 129.64 55.34 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . 0.43 HD22 HG21 ' Q' ' 3' ' ' VAL . 4.9 mp -133.38 122.12 23.31 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.095 0.474 . . . . 0.0 110.481 178.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -120.73 115.33 23.11 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 mm . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.402 -179.03 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -114.18 122.41 46.73 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.532 HG12 HG22 ' C' ' 3' ' ' VAL . 33.4 m -119.3 121.85 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.999 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.27 130.29 55.34 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.796 0.331 . . . . 0.0 111.765 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 5' ' ' LEU . . . . . 0.656 HD11 HD11 ' S' ' 5' ' ' LEU . 87.8 mt -126.49 119.08 26.29 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.199 178.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -122.47 113.11 18.88 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 mm . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.365 -179.082 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 89.3 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -111.75 123.4 50.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 120.016 -0.674 . . . . 0.0 109.228 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.447 HG22 HG12 ' I' ' 3' ' ' VAL . 1.9 m -116.22 125.37 73.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 176.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -118.77 129.4 55.23 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 5' ' ' LEU . . . . . 0.422 HD13 ' CD2' ' I' ' 5' ' ' LEU . 5.0 mp -133.09 121.72 23.07 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.812 0.339 . . . . 0.0 110.32 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -120.21 114.5 22.01 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 26.4 mm . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.546 -179.022 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -113.97 122.23 46.32 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.447 HG12 HG22 ' G' ' 3' ' ' VAL . 32.8 m -119.18 121.49 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 C-N-CA 120.269 -0.572 . . . . 0.0 109.904 176.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.51 130.26 55.11 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 120.82 0.343 . . . . 0.0 111.896 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 5' ' ' LEU . . . . . 0.632 HD11 HD11 ' W' ' 5' ' ' LEU . 86.1 mt -125.8 120.16 29.83 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -122.92 112.53 17.95 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 19.3 mm . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.305 -179.016 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.08 124.22 51.1 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.422 ' O ' HG23 ' K' ' 3' ' ' VAL . 2.4 m -115.62 125.24 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 177.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -119.11 129.67 55.17 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.234 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.86 122.57 23.39 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -121.15 112.55 18.81 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 mm . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.555 -178.789 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 121.247 0.546 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.98 122.13 46.0 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 3' ' ' VAL . . . . . 0.466 HG23 ' O ' ' O' ' 3' ' ' VAL . 28.3 m -119.06 122.33 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.89 130.88 55.97 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 120.824 0.345 . . . . 0.0 111.801 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 5' ' ' LEU . . . . . 0.602 HD11 HD11 ' A' ' 5' ' ' LEU . 87.6 mt -127.15 116.85 21.29 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 178.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -120.17 112.22 18.82 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 22.0 mm . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.372 -178.884 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 93.7 mt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -112.57 123.06 49.45 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 3' ' ' VAL . . . . . 0.509 HG22 HG12 ' S' ' 3' ' ' VAL . 2.0 m -116.54 125.34 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -118.79 129.5 55.27 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 5' ' ' LEU . . . . . 0.417 HD13 ' CD2' ' S' ' 5' ' ' LEU . 4.9 mp -133.07 122.18 23.76 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.07 0.462 . . . . 0.0 110.462 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -120.81 115.39 23.19 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 25.3 mm . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.503 -178.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -114.45 122.43 46.58 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 3' ' ' VAL . . . . . 0.509 HG12 HG22 ' Q' ' 3' ' ' VAL . 33.9 m -119.21 121.88 67.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 C-N-CA 120.443 -0.503 . . . . 0.0 109.983 176.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.29 130.25 55.3 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 5' ' ' LEU . . . . . 0.656 HD11 HD11 ' E' ' 5' ' ' LEU . 87.5 mt -126.49 118.77 25.6 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -122.07 113.06 19.01 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 19.8 mm . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.357 -179.125 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 88.9 mt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -111.59 123.45 50.24 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 120.011 -0.675 . . . . 0.0 109.363 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' U' U ' 3' ' ' VAL . . . . . 0.458 HG22 HG12 ' W' ' 3' ' ' VAL . 2.0 m -116.2 125.27 73.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 176.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -118.74 129.45 55.26 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 mp -132.88 122.07 23.84 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.939 0.4 . . . . 0.0 110.428 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -120.62 114.2 21.36 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 26.2 mm . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.504 -178.902 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -113.88 122.54 47.33 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 3' ' ' VAL . . . . . 0.458 HG12 HG22 ' U' ' 3' ' ' VAL . 32.6 m -118.95 121.32 66.56 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.031 176.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.21 130.15 55.34 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 120.72 0.295 . . . . 0.0 111.744 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 5' ' ' LEU . . . . . 0.632 HD11 HD11 ' I' ' 5' ' ' LEU . 86.1 mt -125.92 120.11 29.54 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -122.78 112.6 18.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.397 -179.04 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 85.4 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -109.61 124.22 50.78 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Y' Y ' 3' ' ' VAL . . . . . 0.441 HG23 ' O ' ' Y' ' 3' ' ' VAL . 2.5 m -115.47 125.23 72.62 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -119.09 129.73 55.22 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.275 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -134.02 122.59 23.23 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -121.24 112.85 19.13 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.434 -178.87 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 84.5 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.95 122.34 46.66 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.617 HG11 HD21 ' O' ' 5' ' ' LEU . 61.2 t -118.81 123.02 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.473 ' C ' HD12 ' A' ' 5' ' ' LEU . 3.0 t60 -117.94 130.95 56.53 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 120.895 0.379 . . . . 0.0 111.107 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.601 HD21 HG11 ' O' ' 3' ' ' VAL . 9.3 mp -112.35 110.13 20.17 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.607 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -126.68 108.33 10.99 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.3 pt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.88 -178.62 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 1' ' ' ILE . . . . . 0.446 ' CD1' HD12 ' Q' ' 7' ' ' ILE . 84.5 mt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -111.5 123.44 50.22 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.529 HG11 HD21 ' Q' ' 5' ' ' LEU . 61.2 t -116.23 125.72 73.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' HIS . . . . . 0.493 ' C ' HD12 ' C' ' 5' ' ' LEU . 26.8 m170 -118.21 130.03 55.84 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.458 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . 0.57 HD21 HG11 ' Q' ' 3' ' ' VAL . 10.1 mp -114.11 120.81 41.81 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -139.09 110.11 6.81 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.593 HD11 HD13 ' S' ' 1' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.473 0.692 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.404 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 1' ' ' ILE . . . . . 0.592 HD13 HD11 ' Q' ' 7' ' ' ILE . 85.2 mt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.8 122.49 47.21 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.604 HG11 HD21 ' S' ' 5' ' ' LEU . 58.0 t -119.16 122.84 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 176.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 4' ' ' HIS . . . . . 0.467 ' C ' HD12 ' E' ' 5' ' ' LEU . 3.3 t60 -117.8 131.05 56.62 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.313 178.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 5' ' ' LEU . . . . . 0.578 HD21 HG11 ' S' ' 3' ' ' VAL . 9.3 mp -112.01 111.52 22.49 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.365 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -128.88 108.11 10.17 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 40.5 pt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.754 -178.493 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' G' G ' 1' ' ' ILE . . . . . 0.423 HG21 HD11 ' S' ' 7' ' ' ILE . 89.2 mt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -110.93 123.76 50.79 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.48 HG11 HD21 ' U' ' 5' ' ' LEU . 62.0 t -116.0 125.77 73.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 4' ' ' HIS . . . . . 0.489 ' C ' HD12 ' G' ' 5' ' ' LEU . 27.7 m170 -118.17 130.06 55.88 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.5 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 5' ' ' LEU . . . . . 0.498 HD21 HG11 ' U' ' 3' ' ' VAL . 10.3 mp -113.53 120.84 42.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.725 0.297 . . . . 0.0 110.274 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -139.53 109.35 6.33 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.673 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 7' ' ' ILE . . . . . 0.593 HD11 HD13 ' W' ' 1' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.618 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.549 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 1' ' ' ILE . . . . . 0.601 HD13 HD11 ' U' ' 7' ' ' ILE . 84.9 mt . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -113.67 122.8 48.27 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 120.499 -0.48 . . . . 0.0 109.8 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.521 HG11 HD21 ' W' ' 5' ' ' LEU . 61.8 t -119.11 122.95 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 176.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 4' ' ' HIS . . . . . 0.478 ' C ' HD12 ' I' ' 5' ' ' LEU . 3.4 t60 -118.0 131.13 56.51 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.299 178.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 5' ' ' LEU . . . . . 0.539 HD21 HG11 ' W' ' 3' ' ' VAL . 9.5 mp -111.89 111.14 21.88 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.593 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -129.02 107.33 9.52 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 7' ' ' ILE . . . . . 0.421 HD11 HG21 ' Y' ' 1' ' ' ILE . 36.5 pt . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.574 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 1' ' ' ILE . . . . . 0.445 HG21 HD11 ' W' ' 7' ' ' ILE . 93.6 mt . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -109.85 124.12 50.76 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -115.45 125.67 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 4' ' ' HIS . . . . . 0.495 ' C ' HD12 ' K' ' 5' ' ' LEU . 28.8 m170 -117.97 130.05 55.97 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.604 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' K' K ' 5' ' ' LEU . . . . . 0.495 HD12 ' C ' ' K' ' 4' ' ' HIS . 10.3 mp -112.19 122.21 47.11 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.817 0.341 . . . . 0.0 110.459 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -142.48 109.36 5.47 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 pt . . . . . 0 C--O 1.219 -0.551 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.39 -179.031 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -113.83 122.4 46.94 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' O' O ' 3' ' ' VAL . . . . . 0.601 HG11 HD21 ' A' ' 5' ' ' LEU . 60.3 t -118.82 122.98 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' O' O ' 4' ' ' HIS . . . . . 0.458 ' C ' HD12 ' O' ' 5' ' ' LEU . 2.9 t60 -117.81 130.95 56.59 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 120.878 0.37 . . . . 0.0 111.172 178.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' O' O ' 5' ' ' LEU . . . . . 0.617 HD21 HG11 ' A' ' 3' ' ' VAL . 9.2 mp -112.58 108.58 17.72 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.807 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -124.94 108.41 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 50.7 pt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.882 -178.636 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' Q' Q ' 1' ' ' ILE . . . . . 0.453 ' CD1' HD12 ' C' ' 7' ' ' ILE . 87.1 mt . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -111.35 123.4 50.14 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 3' ' ' VAL . . . . . 0.57 HG11 HD21 ' C' ' 5' ' ' LEU . 58.0 t -116.15 125.64 73.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 4' ' ' HIS . . . . . 0.492 ' C ' HD12 ' Q' ' 5' ' ' LEU . 27.0 m170 -118.26 130.15 55.88 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.399 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 5' ' ' LEU . . . . . 0.529 HD21 HG11 ' C' ' 3' ' ' VAL . 10.0 mp -113.99 120.9 42.23 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -139.01 109.8 6.69 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.034 0.445 . . . . 0.0 109.842 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Q' Q ' 7' ' ' ILE . . . . . 0.592 HD11 HD13 ' E' ' 1' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 117.915 -1.04 . . . . 0.0 110.436 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 1' ' ' ILE . . . . . 0.593 HD13 HD11 ' C' ' 7' ' ' ILE . 87.1 mt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -113.58 122.5 47.43 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 3' ' ' VAL . . . . . 0.578 HG11 HD21 ' E' ' 5' ' ' LEU . 57.6 t -119.06 122.75 70.05 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 4' ' ' HIS . . . . . 0.461 ' C ' HD12 ' S' ' 5' ' ' LEU . 3.2 t60 -117.95 131.12 56.54 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.36 178.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 5' ' ' LEU . . . . . 0.604 HD21 HG11 ' E' ' 3' ' ' VAL . 9.2 mp -111.75 112.22 23.74 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.205 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -129.08 107.51 9.64 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 7' ' ' ILE . . . . . 0.423 HD11 HG21 ' G' ' 1' ' ' ILE . 38.9 pt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.949 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' U' U ' 1' ' ' ILE . . . . . 0.405 HD12 HD12 ' G' ' 7' ' ' ILE . 89.5 mt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -110.74 123.79 50.73 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' U' U ' 3' ' ' VAL . . . . . 0.498 HG11 HD21 ' G' ' 5' ' ' LEU . 61.4 t -116.14 125.73 73.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' U' U ' 4' ' ' HIS . . . . . 0.498 ' C ' HD12 ' U' ' 5' ' ' LEU . 27.5 m170 -118.07 130.22 56.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.562 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' U' U ' 5' ' ' LEU . . . . . 0.498 HD12 ' C ' ' U' ' 4' ' ' HIS . 10.2 mp -113.54 121.46 44.3 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.728 0.299 . . . . 0.0 110.398 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -140.1 110.3 6.56 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.874 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' U' U ' 7' ' ' ILE . . . . . 0.601 HD11 HD13 ' I' ' 1' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.475 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 1' ' ' ILE . . . . . 0.593 HD13 HD11 ' G' ' 7' ' ' ILE . 83.9 mt . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -113.57 122.71 48.04 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.945 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 3' ' ' VAL . . . . . 0.539 HG11 HD21 ' I' ' 5' ' ' LEU . 62.7 t -118.91 123.05 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 4' ' ' HIS . . . . . 0.481 ' C ' HD12 ' W' ' 5' ' ' LEU . 3.1 t60 -117.95 130.84 56.45 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.308 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 5' ' ' LEU . . . . . 0.521 HD21 HG11 ' I' ' 3' ' ' VAL . 9.6 mp -111.74 111.61 22.71 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.762 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -129.59 107.81 9.74 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 7' ' ' ILE . . . . . 0.445 HD11 HG21 ' K' ' 1' ' ' ILE . 39.1 pt . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.754 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Y' Y ' 1' ' ' ILE . . . . . 0.421 HG21 HD11 ' I' ' 7' ' ' ILE . 92.4 mt . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -109.74 124.07 50.62 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -115.61 125.81 72.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Y' Y ' 4' ' ' HIS . . . . . 0.495 ' C ' HD12 ' Y' ' 5' ' ' LEU . 27.8 m170 -118.01 130.39 56.15 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.507 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Y' Y ' 5' ' ' LEU . . . . . 0.495 HD12 ' C ' ' Y' ' 4' ' ' HIS . 10.4 mp -112.4 122.23 47.11 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.746 0.308 . . . . 0.0 110.318 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -142.51 109.91 5.69 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 pt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.337 -179.038 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.457 HD12 ' CG2' ' O' ' 7' ' ' ILE . 97.2 mt . . . . . 0 N--CA 1.494 1.727 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -113.02 122.77 48.6 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.413 HG11 ' CD1' ' O' ' 5' ' ' LEU . 61.0 t -118.64 122.83 70.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.458 178.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.26 131.49 56.35 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 120.546 0.212 . . . . 0.0 111.529 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.433 HD11 HD11 ' O' ' 5' ' ' LEU . 24.7 mt -129.94 127.52 40.25 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.845 0.355 . . . . 0.0 110.777 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -130.41 106.58 8.64 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.48 -0.934 . . . . 0.0 108.48 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.436 ' CG2' HD12 ' O' ' 1' ' ' ILE . 54.7 mt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.817 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -111.15 122.91 49.08 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.555 HG12 HD11 ' C' ' 5' ' ' LEU . 18.3 t -116.53 125.75 73.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -118.27 129.1 55.27 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . 0.555 HD11 HG12 ' C' ' 3' ' ' VAL . 2.7 mp -132.74 121.21 22.72 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.098 0.475 . . . . 0.0 111.99 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -122.19 106.99 11.64 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.185 177.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.754 HD13 ' H ' ' C' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.559 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 1' ' ' ILE . . . . . 0.476 HD12 ' CG2' ' S' ' 7' ' ' ILE . 96.3 mt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -112.47 122.96 49.19 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -118.9 122.43 69.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.466 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.54 131.13 56.23 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 120.594 0.235 . . . . 0.0 111.609 178.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 19.5 mt -129.97 125.48 35.49 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.611 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -129.29 104.92 7.79 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 7' ' ' ILE . . . . . 0.47 ' CG2' HD12 ' S' ' 1' ' ' ILE . 51.2 mt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.892 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 77.9 mt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -110.21 122.79 48.48 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.531 HG12 HD11 ' G' ' 5' ' ' LEU . 19.1 t -116.33 125.69 73.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -117.94 128.89 55.24 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 5' ' ' LEU . . . . . 0.531 HD11 HG12 ' G' ' 3' ' ' VAL . 2.8 mp -132.23 121.18 23.24 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.176 0.512 . . . . 0.0 111.931 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -122.48 105.69 10.37 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.388 177.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 7' ' ' ILE . . . . . 0.743 ' H ' HD13 ' G' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.694 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 1' ' ' ILE . . . . . 0.406 HD12 ' CG2' ' W' ' 7' ' ' ILE . 96.6 mt . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -111.1 122.85 48.94 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 59.4 t -118.53 122.15 68.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.364 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 4' ' ' HIS . . . . . 0.416 ' O ' HD12 ' G' ' 5' ' ' LEU . 3.5 t60 -118.43 131.14 56.28 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 178.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 5' ' ' LEU . . . . . 0.433 HD11 HD11 ' W' ' 5' ' ' LEU . 18.9 mt -130.92 123.28 28.57 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.664 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -127.24 104.22 7.83 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 7' ' ' ILE . . . . . 0.451 HG12 HD11 ' G' ' 7' ' ' ILE . 48.1 mt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.988 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 84.1 mt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -107.26 123.49 48.39 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.466 HG12 HD11 ' K' ' 5' ' ' LEU . 21.8 t -116.18 125.79 73.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -117.83 129.34 55.6 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' K' K ' 5' ' ' LEU . . . . . 0.466 HD11 HG12 ' K' ' 3' ' ' VAL . 2.7 mp -131.75 126.29 34.09 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.757 0.313 . . . . 0.0 111.295 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -127.82 104.58 7.91 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' K' K ' 7' ' ' ILE . . . . . 0.7 HD13 ' H ' ' K' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 118.11 -0.948 . . . . 0.0 110.522 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' O' O ' 1' ' ' ILE . . . . . 0.436 HD12 ' CG2' ' A' ' 7' ' ' ILE . 97.4 mt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -113.08 122.83 48.75 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' O' O ' 3' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 5' ' ' LEU . 61.6 t -118.62 122.75 70.22 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.45 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.28 131.58 56.34 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 120.608 0.242 . . . . 0.0 111.542 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' O' O ' 5' ' ' LEU . . . . . 0.433 HD11 HD11 ' A' ' 5' ' ' LEU . 26.9 mt -129.94 128.45 42.15 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.88 0.372 . . . . 0.0 110.78 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -131.57 106.63 8.31 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' O' O ' 7' ' ' ILE . . . . . 0.457 ' CG2' HD12 ' A' ' 1' ' ' ILE . 55.0 mt . . . . . 0 C--O 1.218 -0.578 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.89 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 81.2 mt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -111.44 122.85 48.93 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 3' ' ' VAL . . . . . 0.569 HG12 HD11 ' Q' ' 5' ' ' LEU . 18.3 t -116.76 125.57 73.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -118.35 129.1 55.24 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 5' ' ' LEU . . . . . 0.569 HD11 HG12 ' Q' ' 3' ' ' VAL . 2.6 mp -132.81 119.96 20.95 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 121.112 0.482 . . . . 0.0 112.068 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -120.7 106.93 12.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.103 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Q' Q ' 7' ' ' ILE . . . . . 0.75 ' H ' HD13 ' Q' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.538 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 1' ' ' ILE . . . . . 0.47 HD12 ' CG2' ' E' ' 7' ' ' ILE . 96.4 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -112.96 122.9 49.03 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 60.7 t -118.53 122.4 69.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.644 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -118.52 131.16 56.24 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 120.676 0.274 . . . . 0.0 111.404 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 19.8 mt -129.68 126.39 38.2 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.587 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -130.12 104.93 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 177.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 7' ' ' ILE . . . . . 0.476 ' CG2' HD12 ' E' ' 1' ' ' ILE . 47.1 mt . . . . . 0 N--CA 1.469 0.517 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.835 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 78.2 mt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -110.39 123.11 49.25 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' U' U ' 3' ' ' VAL . . . . . 0.533 HG12 HD11 ' U' ' 5' ' ' LEU . 19.9 t -116.71 125.74 73.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -117.96 128.81 55.15 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' U' U ' 5' ' ' LEU . . . . . 0.533 HD11 HG12 ' U' ' 3' ' ' VAL . 2.7 mp -132.11 121.34 23.63 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 121.095 0.474 . . . . 0.0 111.734 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -122.6 105.45 10.11 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.259 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' U' U ' 7' ' ' ILE . . . . . 0.736 HD13 ' H ' ' U' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.678 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 1' ' ' ILE . . . . . 0.436 HD12 ' CG2' ' I' ' 7' ' ' ILE . 96.4 mt . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -111.01 123.18 49.68 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -118.57 122.41 69.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.39 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 4' ' ' HIS . . . . . 0.414 ' O ' HD12 ' U' ' 5' ' ' LEU . 3.2 t60 -118.3 130.92 56.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 120.537 0.208 . . . . 0.0 111.314 178.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 5' ' ' LEU . . . . . 0.433 HD11 HD11 ' I' ' 5' ' ' LEU . 18.5 mt -130.68 122.74 27.89 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.603 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -126.97 103.98 7.76 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 7' ' ' ILE . . . . . 0.5 HG12 HD11 ' U' ' 7' ' ' ILE . 51.7 mt . . . . . 0 N--CA 1.469 0.521 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.129 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -107.22 123.44 48.29 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Y' Y ' 3' ' ' VAL . . . . . 0.471 HG12 HD11 ' Y' ' 5' ' ' LEU . 21.9 t -116.18 125.8 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -117.69 129.47 55.74 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Y' Y ' 5' ' ' LEU . . . . . 0.471 HD11 HG12 ' Y' ' 3' ' ' VAL . 2.7 mp -131.79 127.43 36.67 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.805 0.336 . . . . 0.0 111.09 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -128.96 104.57 7.67 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Y' Y ' 7' ' ' ILE . . . . . 0.699 HD13 ' H ' ' Y' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.458 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.634 HD13 ' N ' ' A' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.322 0.582 . . . . 0.0 109.524 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.634 ' N ' HD13 ' A' ' 1' ' ' ILE . 5.3 t-160 -114.33 122.16 45.83 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.552 HG11 HD13 ' O' ' 5' ' ' LEU . 56.2 t -118.11 121.66 67.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.66 131.42 56.17 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 120.68 0.276 . . . . 0.0 111.182 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.638 HD11 HD11 ' O' ' 5' ' ' LEU . 64.7 mt -119.52 114.84 22.89 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -124.99 108.58 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 7' ' ' ILE . 3.4 mt . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 117.895 -1.05 . . . . 0.0 110.337 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 1' ' ' ILE . . . . . 0.424 HG12 HG22 ' A' ' 1' ' ' ILE . 91.0 mt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -112.15 123.67 50.76 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 120.189 -0.604 . . . . 0.0 109.438 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 65.5 t -116.22 124.84 72.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -119.16 129.67 55.13 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 50.6 tp -122.3 123.44 41.42 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.793 0.33 . . . . 0.0 110.534 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -135.0 113.63 11.67 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.429 HG13 HG23 ' E' ' 7' ' ' ILE . 41.7 pt . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.489 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 1' ' ' ILE . . . . . 0.716 HD13 ' N ' ' E' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 2' ' ' HIS . . . . . 0.716 ' N ' HD13 ' E' ' 1' ' ' ILE . 6.4 t-160 -114.54 122.82 47.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.601 HG11 HD13 ' S' ' 5' ' ' LEU . 61.6 t -118.16 121.51 67.4 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 177.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -118.97 130.83 55.9 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.045 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 5' ' ' LEU . . . . . 0.61 HD11 HD11 ' S' ' 5' ' ' LEU . 55.4 mt -119.18 115.51 24.37 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.33 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -126.63 108.68 11.33 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 7' ' ' ILE . . . . . 0.459 HD13 HG21 ' S' ' 1' ' ' ILE . 4.5 mt . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.24 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 1' ' ' ILE . . . . . 0.493 HG23 ' CG2' ' E' ' 1' ' ' ILE . 92.1 mt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -111.47 123.65 50.66 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.733 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 66.0 t -116.22 124.69 72.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -119.02 129.51 55.17 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 55.1 tp -122.02 121.9 38.08 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 120.945 0.403 . . . . 0.0 110.473 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -133.71 112.5 11.44 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.467 178.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 46.2 pt . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.577 -179.565 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' I' I ' 1' ' ' ILE . . . . . 0.717 HD13 ' N ' ' I' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 2' ' ' HIS . . . . . 0.717 ' N ' HD13 ' I' ' 1' ' ' ILE . 7.1 t-160 -114.1 122.96 48.45 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.52 178.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.537 HG11 HD13 ' W' ' 5' ' ' LEU . 58.5 t -118.02 121.44 67.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.89 130.32 55.67 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.23 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 5' ' ' LEU . . . . . 0.576 HD11 HD11 ' W' ' 5' ' ' LEU . 50.4 mt -118.47 114.81 23.43 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.641 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -125.9 107.94 10.96 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 7' ' ' ILE . . . . . 0.401 HD13 HG21 ' W' ' 1' ' ' ILE . 5.5 mt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.24 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 1' ' ' ILE . . . . . 0.419 HG23 ' CG2' ' I' ' 1' ' ' ILE . 93.5 mt . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -108.52 123.87 49.56 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.472 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 66.0 t -115.77 124.93 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -118.88 129.52 55.24 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 tp -121.96 121.84 37.99 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 120.789 0.328 . . . . 0.0 110.359 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -135.11 111.38 9.68 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 pt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.458 -179.223 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' O' O ' 1' ' ' ILE . . . . . 0.628 HD13 ' N ' ' O' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.389 0.614 . . . . 0.0 109.599 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' O' O ' 2' ' ' HIS . . . . . 0.628 ' N ' HD13 ' O' ' 1' ' ' ILE . 5.3 t-160 -114.15 122.25 46.24 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' O' O ' 3' ' ' VAL . . . . . 0.587 HG11 HD13 ' A' ' 5' ' ' LEU . 56.2 t -118.17 121.94 68.42 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.77 131.53 56.12 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.624 0.249 . . . . 0.0 111.212 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' O' O ' 5' ' ' LEU . . . . . 0.638 HD11 HD11 ' A' ' 5' ' ' LEU . 64.1 mt -119.61 115.43 23.97 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -125.81 107.96 11.01 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' O' O ' 7' ' ' ILE . . . . . 0.413 HD13 HG21 ' O' ' 7' ' ' ILE . 3.2 mt . . . . . 0 N--CA 1.47 0.548 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.237 -178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 1' ' ' ILE . . . . . 0.419 HG23 ' CG2' ' O' ' 1' ' ' ILE . 91.2 mt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -112.11 123.96 51.39 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.504 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 70.6 t -116.15 124.95 72.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -119.2 129.47 54.99 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 tp -122.06 123.16 40.95 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 120.725 0.298 . . . . 0.0 110.52 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -134.8 113.19 11.36 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Q' Q ' 7' ' ' ILE . . . . . 0.474 HG13 HG23 ' S' ' 7' ' ' ILE . 43.4 pt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.417 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 1' ' ' ILE . . . . . 0.688 HD13 ' N ' ' S' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 2' ' ' HIS . . . . . 0.688 ' N ' HD13 ' S' ' 1' ' ' ILE . 6.5 t-160 -114.16 122.9 48.23 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 3' ' ' VAL . . . . . 0.545 HG11 HD13 ' E' ' 5' ' ' LEU . 60.6 t -118.25 121.52 67.38 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -119.05 130.7 55.76 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.16 177.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 5' ' ' LEU . . . . . 0.61 HD11 HD11 ' E' ' 5' ' ' LEU . 55.2 mt -118.95 116.05 25.64 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.358 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -127.28 108.06 10.54 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 7' ' ' ILE . . . . . 0.474 HG23 HG13 ' Q' ' 7' ' ' ILE . 4.1 mt . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.235 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' U' U ' 1' ' ' ILE . . . . . 0.493 HG23 ' CG2' ' S' ' 1' ' ' ILE . 93.0 mt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -110.93 123.69 50.64 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 120.211 -0.596 . . . . 0.0 109.82 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 67.0 t -116.18 124.59 72.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -118.84 129.29 55.14 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 55.2 tp -121.85 121.64 37.62 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.877 0.37 . . . . 0.0 110.691 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -133.43 112.49 11.62 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.622 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' U' U ' 7' ' ' ILE . . . . . 0.431 HG13 HG23 ' W' ' 7' ' ' ILE . 46.5 pt . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.674 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 1' ' ' ILE . . . . . 0.71 HD13 ' N ' ' W' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 2' ' ' HIS . . . . . 0.71 ' N ' HD13 ' W' ' 1' ' ' ILE . 8.5 t-160 -113.78 123.09 49.0 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 3' ' ' VAL . . . . . 0.54 HG11 HD13 ' I' ' 5' ' ' LEU . 57.4 t -118.0 121.43 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -118.66 130.21 55.73 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.079 177.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 5' ' ' LEU . . . . . 0.576 HD11 HD11 ' I' ' 5' ' ' LEU . 50.4 mt -118.7 113.78 21.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -125.23 107.92 11.22 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 7' ' ' ILE . . . . . 0.431 HG23 HG13 ' U' ' 7' ' ' ILE . 4.0 mt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.287 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 89.9 mt . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -108.29 123.88 49.48 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.545 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 70.1 t -115.83 124.84 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -118.9 129.66 55.31 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 tp -121.94 120.96 35.97 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 120.75 0.31 . . . . 0.0 110.522 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -134.28 111.17 10.01 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 47.5 pt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.536 -179.179 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.409 HD12 HG21 ' O' ' 7' ' ' ILE . 86.9 mt . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 121.577 0.703 . . . . 0.0 109.886 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -113.97 122.98 48.6 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.339 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.5 t -117.73 121.9 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.78 131.81 56.12 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.665 ' C ' HD13 ' A' ' 5' ' ' LEU . 1.9 tm? -126.53 121.69 33.01 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.462 ' N ' HD22 ' A' ' 5' ' ' LEU . 51.6 tt0 -135.81 119.08 16.67 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.426 HG21 HD13 ' A' ' 7' ' ' ILE . 14.2 mt . . . . . 0 N--CA 1.469 0.513 0 CA-C-O 117.719 -1.134 . . . . 0.0 109.618 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -111.75 124.16 51.75 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.474 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 84.0 t -115.7 125.13 72.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -118.41 129.03 55.18 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . 0.596 HD11 HD11 ' Q' ' 5' ' ' LEU . 13.5 mt -126.52 118.28 24.58 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.483 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -131.01 111.06 11.69 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.891 -1.052 . . . . 0.0 109.848 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.121 0.486 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -113.69 122.67 47.84 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.232 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 82.7 t -117.67 121.08 66.62 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -118.97 130.95 55.97 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 5' ' ' LEU . . . . . 0.653 HD13 ' C ' ' E' ' 5' ' ' LEU . 2.0 tm? -124.45 119.85 30.36 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.64 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 6' ' ' GLN . . . . . 0.452 ' N ' HD22 ' E' ' 5' ' ' LEU . 51.5 tt0 -133.08 119.49 20.06 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 7' ' ' ILE . . . . . 0.476 HD12 HG21 ' U' ' 1' ' ' ILE . 7.5 mt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.765 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -110.84 124.11 51.41 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 94.2 t -115.8 125.11 72.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -117.88 128.83 55.21 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 5' ' ' LEU . . . . . 0.583 HD11 HD11 ' U' ' 5' ' ' LEU . 17.2 mt -125.47 119.4 28.13 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.593 -178.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -132.08 111.68 11.69 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.93 -1.034 . . . . 0.0 110.159 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -113.51 122.79 48.33 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 97.5 t -117.42 120.74 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.851 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -119.04 130.53 55.68 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 5' ' ' LEU . . . . . 0.667 ' C ' HD13 ' I' ' 5' ' ' LEU . 1.9 tm? -123.37 118.44 27.49 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.78 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 6' ' ' GLN . . . . . 0.424 ' N ' HD22 ' I' ' 5' ' ' LEU . 51.4 tt0 -131.06 120.03 22.84 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 7' ' ' ILE . . . . . 0.428 HD12 HG21 ' Y' ' 1' ' ' ILE . 9.1 mt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.759 -1.115 . . . . 0.0 109.837 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 1' ' ' ILE . . . . . 0.518 HG21 HD12 ' W' ' 7' ' ' ILE . 96.5 mt . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -107.71 124.14 49.57 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 84.5 t -115.84 125.95 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -117.38 129.1 55.64 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 5' ' ' LEU . . . . . 0.442 HD11 HD11 ' Y' ' 5' ' ' LEU . 35.3 mt -123.38 121.9 36.94 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 -178.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -135.62 110.11 8.53 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.415 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' O' O ' 1' ' ' ILE . . . . . 0.425 HD12 HG21 ' A' ' 7' ' ' ILE . 89.8 mt . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 121.435 0.636 . . . . 0.0 109.771 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.86 122.98 48.67 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.365 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 70.3 t -117.72 121.69 68.04 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.668 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 177.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.85 131.76 56.09 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' O' O ' 5' ' ' LEU . . . . . 0.674 HD13 ' C ' ' O' ' 5' ' ' LEU . 1.9 tm? -126.17 121.91 34.14 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' O' O ' 6' ' ' GLN . . . . . 0.457 ' N ' HD22 ' O' ' 5' ' ' LEU . 51.8 tt0 -136.0 119.42 16.87 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' O' O ' 7' ' ' ILE . . . . . 0.43 HD13 HG21 ' O' ' 7' ' ' ILE . 14.2 mt . . . . . 0 N--CA 1.47 0.529 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.57 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 95.8 mt . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -111.37 124.3 51.97 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.449 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -115.82 125.27 72.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -118.35 128.95 55.14 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 5' ' ' LEU . . . . . 0.596 HD11 HD11 ' C' ' 5' ' ' LEU . 13.1 mt -126.29 118.5 25.23 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.413 -178.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -131.05 110.3 11.11 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.913 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 88.5 mt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -113.56 122.87 48.53 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 81.7 t -117.77 121.02 66.43 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -119.08 130.94 55.86 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 5' ' ' LEU . . . . . 0.67 ' C ' HD13 ' S' ' 5' ' ' LEU . 1.9 tm? -124.11 119.74 30.33 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.622 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 6' ' ' GLN . . . . . 0.453 ' N ' HD22 ' S' ' 5' ' ' LEU . 51.7 tt0 -133.12 119.46 19.97 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 7' ' ' ILE . . . . . 0.407 HD13 HG21 ' S' ' 7' ' ' ILE . 10.2 mt . . . . . 0 C--O 1.218 -0.571 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.671 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' U' U ' 1' ' ' ILE . . . . . 0.476 HG21 HD12 ' E' ' 7' ' ' ILE . 95.9 mt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -110.91 124.18 51.59 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 90.4 t -115.83 125.38 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -117.88 128.86 55.23 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' U' U ' 5' ' ' LEU . . . . . 0.583 HD11 HD11 ' G' ' 5' ' ' LEU . 16.5 mt -125.46 119.05 27.17 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.353 -178.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -131.72 110.41 10.86 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.912 -1.042 . . . . 0.0 110.189 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -113.4 122.88 48.69 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 80.4 t -117.72 120.86 65.99 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.731 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -118.84 130.63 55.86 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 5' ' ' LEU . . . . . 0.667 ' C ' HD13 ' W' ' 5' ' ' LEU . 1.9 tm? -123.49 118.81 28.24 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 6' ' ' GLN . . . . . 0.436 ' N ' HD22 ' W' ' 5' ' ' LEU . 51.6 tt0 -131.91 119.16 20.76 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 7' ' ' ILE . . . . . 0.518 HD12 HG21 ' K' ' 1' ' ' ILE . 9.9 mt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.752 -1.118 . . . . 0.0 109.773 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Y' Y ' 1' ' ' ILE . . . . . 0.428 HG21 HD12 ' I' ' 7' ' ' ILE . 96.5 mt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -107.76 123.91 49.25 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 87.1 t -115.81 126.08 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -117.16 129.29 55.86 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Y' Y ' 5' ' ' LEU . . . . . 0.442 HD11 HD11 ' K' ' 5' ' ' LEU . 34.5 mt -123.52 121.52 35.87 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -135.42 109.2 8.06 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.326 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 96.0 mt . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -114.34 122.49 46.86 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.606 HG11 HD13 ' O' ' 5' ' ' LEU . 45.7 t -118.29 122.12 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.196 178.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.51 131.52 55.58 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.873 HD11 HD11 ' O' ' 5' ' ' LEU . 75.2 mt -121.92 112.46 18.33 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -123.12 105.5 9.98 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 mm . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.542 -179.47 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 121.355 0.598 . . . . 0.0 109.88 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -110.42 123.39 49.79 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.33 125.07 72.46 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -118.73 129.19 55.13 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . 0.573 HD11 HD11 ' C' ' 7' ' ' ILE . 53.0 tp -123.32 123.7 41.31 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 121.246 -0.182 . . . . 0.0 110.857 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -132.81 105.57 7.22 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.573 HD11 HD11 ' C' ' 5' ' ' LEU . 46.6 mm . . . . . 0 C--O 1.218 -0.585 0 CA-C-O 117.62 -1.181 . . . . 0.0 110.545 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -113.36 122.63 47.95 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.553 HG11 HD13 ' S' ' 5' ' ' LEU . 49.2 t -118.56 121.19 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.904 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -119.37 130.75 55.49 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.673 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 5' ' ' LEU . . . . . 0.914 HD11 HD11 ' S' ' 5' ' ' LEU . 64.2 mt -121.11 111.55 17.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.35 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -121.68 108.14 13.19 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 8.6 mm . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.578 -179.473 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' G' G ' 1' ' ' ILE . . . . . 0.44 HD13 HD12 ' U' ' 7' ' ' ILE . 1.6 tt . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 121.161 0.505 . . . . 0.0 109.89 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -110.26 123.99 50.81 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 176.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -115.68 124.79 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -118.49 129.4 55.35 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 5' ' ' LEU . . . . . 0.605 HD11 HD11 ' G' ' 7' ' ' ILE . 52.9 tp -124.06 123.12 39.65 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.447 0.165 . . . . 0.0 111.173 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -132.1 104.7 6.94 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 7' ' ' ILE . . . . . 0.605 HD11 HD11 ' G' ' 5' ' ' LEU . 45.4 mm . . . . . 0 C--O 1.218 -0.587 0 CA-C-O 117.676 -1.154 . . . . 0.0 110.66 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -113.34 123.1 49.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.579 HG11 HD13 ' W' ' 5' ' ' LEU . 60.5 t -118.72 121.22 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.135 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.39 130.21 55.2 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.654 -0.419 . . . . 0.0 112.057 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 5' ' ' LEU . . . . . 0.989 HD11 HD11 ' W' ' 5' ' ' LEU . 55.9 mt -120.29 110.52 16.66 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.4 0.438 . . . . 0.0 110.48 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -120.81 106.84 12.05 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 8.5 mm . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.661 -179.27 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' K' K ' 1' ' ' ILE . . . . . 0.517 HD13 HD12 ' Y' ' 7' ' ' ILE . 1.9 tt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -108.75 124.61 50.85 Favored 'General case' 0 N--CA 1.462 0.126 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 56.0 t -115.22 125.41 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.26 129.67 55.61 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' K' K ' 5' ' ' LEU . . . . . 0.618 HD11 HD11 ' K' ' 7' ' ' ILE . 46.9 tp -124.82 122.41 37.34 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.507 0.194 . . . . 0.0 110.769 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -132.72 104.9 6.86 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' K' K ' 7' ' ' ILE . . . . . 0.618 HD11 HD11 ' K' ' 5' ' ' LEU . 43.6 mm . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 117.761 -1.114 . . . . 0.0 110.625 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -114.17 123.17 48.94 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' O' O ' 3' ' ' VAL . . . . . 0.63 HG11 HD13 ' A' ' 5' ' ' LEU . 46.7 t -118.9 121.89 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.137 177.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -119.11 131.7 55.93 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' O' O ' 5' ' ' LEU . . . . . 0.873 HD11 HD11 ' A' ' 5' ' ' LEU . 78.6 mt -121.6 112.01 17.93 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -122.74 105.58 10.18 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 mm . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.531 -179.703 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 121.189 0.518 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -110.19 123.94 50.68 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -115.52 124.73 72.3 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.63 129.27 55.22 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 5' ' ' LEU . . . . . 0.591 HD11 HD11 ' Q' ' 7' ' ' ILE . 51.5 tp -123.58 123.09 39.82 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.468 0.175 . . . . 0.0 110.768 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -132.14 105.54 7.43 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Q' Q ' 7' ' ' ILE . . . . . 0.591 HD11 HD11 ' Q' ' 5' ' ' LEU . 45.5 mm . . . . . 0 C--O 1.218 -0.604 0 CA-C-O 117.716 -1.135 . . . . 0.0 110.471 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -113.93 122.61 47.5 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 3' ' ' VAL . . . . . 0.663 HG11 HD13 ' E' ' 5' ' ' LEU . 50.8 t -118.31 121.45 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.94 177.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.51 130.62 55.28 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 5' ' ' LEU . . . . . 0.914 HD11 HD11 ' E' ' 5' ' ' LEU . 69.0 mt -121.13 113.21 19.68 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.186 0.303 . . . . 0.0 110.234 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -123.32 107.84 12.1 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 8.0 mm . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.67 -179.369 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' U' U ' 1' ' ' ILE . . . . . 0.483 HD13 HD12 ' G' ' 7' ' ' ILE . 1.5 tt . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 121.345 0.593 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -109.88 124.01 50.6 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -115.51 124.76 72.34 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -118.37 129.51 55.47 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' U' U ' 5' ' ' LEU . . . . . 0.615 HD11 HD11 ' U' ' 7' ' ' ILE . 51.4 tp -124.49 123.03 39.25 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 121.179 -0.209 . . . . 0.0 110.956 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -132.0 104.48 6.85 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' U' U ' 7' ' ' ILE . . . . . 0.615 HD11 HD11 ' U' ' 5' ' ' LEU . 45.1 mm . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 117.804 -1.093 . . . . 0.0 110.679 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -112.06 122.79 48.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 3' ' ' VAL . . . . . 0.606 HG11 HD13 ' I' ' 5' ' ' LEU . 60.4 t -118.31 121.33 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.32 130.12 55.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 5' ' ' LEU . . . . . 0.989 HD11 HD11 ' I' ' 5' ' ' LEU . 60.7 mt -120.78 110.7 16.68 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.374 0.421 . . . . 0.0 110.507 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -120.88 107.48 12.75 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 8.9 mm . . . . . 0 C--O 1.218 -0.563 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.703 -179.424 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' Y' Y ' 1' ' ' ILE . . . . . 0.509 HD13 HD12 ' K' ' 7' ' ' ILE . 1.9 tt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -108.6 124.83 51.1 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.68 125.03 72.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -118.06 130.15 55.98 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Y' Y ' 5' ' ' LEU . . . . . 0.595 HD11 HD11 ' Y' ' 7' ' ' ILE . 46.3 tp -124.67 121.74 35.54 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.433 0.159 . . . . 0.0 110.64 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -132.04 104.42 6.81 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Y' Y ' 7' ' ' ILE . . . . . 0.595 HD11 HD11 ' Y' ' 5' ' ' LEU . 44.3 mm . . . . . 0 C--O 1.217 -0.607 0 CA-C-O 117.773 -1.108 . . . . 0.0 110.652 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 84.2 mt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -113.34 123.12 49.37 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.4 t -118.23 122.78 70.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.25 130.36 56.01 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mt -140.08 115.83 10.2 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.066 0.46 . . . . 0.0 110.947 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -114.77 106.49 14.26 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.6 pt . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.557 -179.351 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 1' ' ' ILE . . . . . 0.471 HD12 ' CG2' ' Q' ' 7' ' ' ILE . 97.0 mt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -110.56 124.4 51.77 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -115.66 125.62 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -117.99 128.64 54.99 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . 0.427 HD11 HD11 ' Q' ' 5' ' ' LEU . 4.5 mt -136.74 126.81 26.09 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 120.791 0.329 . . . . 0.0 110.826 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -125.17 115.01 19.76 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.436 ' CG2' HD12 ' Q' ' 1' ' ' ILE . 4.5 mt . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.949 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 84.9 mt . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -112.58 123.46 50.34 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.07 122.46 69.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.35 129.91 55.7 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 6.2 mt -138.9 115.12 10.32 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.124 0.488 . . . . 0.0 111.088 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -113.78 107.24 15.47 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.039 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 pt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.706 -179.047 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' G' G ' 1' ' ' ILE . . . . . 0.432 HD12 ' CG2' ' U' ' 7' ' ' ILE . 97.3 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -110.1 124.57 51.74 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -115.4 125.49 72.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -118.17 128.5 54.78 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 5' ' ' LEU . . . . . 0.504 HD11 HD11 ' U' ' 5' ' ' LEU . 5.7 mt -136.26 127.25 27.74 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.742 0.306 . . . . 0.0 110.811 -178.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -125.58 113.5 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.096 -0.954 . . . . 0.0 109.981 -179.364 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 85.8 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -111.04 123.64 50.58 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 48.5 t -117.8 122.05 68.84 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.44 129.71 55.55 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 mt -138.39 114.95 10.52 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.232 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -113.24 105.55 13.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.323 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 pt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.108 -0.949 . . . . 0.0 110.652 -179.33 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -107.68 124.88 50.64 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 61.1 t -115.02 125.34 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.17 128.63 54.9 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' K' K ' 5' ' ' LEU . . . . . 0.46 HD11 HD11 ' Y' ' 5' ' ' LEU . 9.6 mt -136.62 126.63 26.02 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.447 0.165 . . . . 0.0 110.559 -178.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -125.01 111.11 15.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.02 -179.276 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -113.0 123.01 49.35 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 45.9 t -118.14 122.68 70.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -118.22 130.01 55.82 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mt -139.47 117.66 11.91 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.164 0.507 . . . . 0.0 111.082 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -116.25 106.23 13.45 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 pt . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.488 -179.444 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' Q' Q ' 1' ' ' ILE . . . . . 0.436 HD12 ' CG2' ' C' ' 7' ' ' ILE . 96.2 mt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -110.79 124.51 52.16 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -115.56 125.48 72.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -118.06 128.33 54.65 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 5' ' ' LEU . . . . . 0.427 HD11 HD11 ' C' ' 5' ' ' LEU . 5.2 mt -136.72 127.1 26.61 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 -178.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -125.69 114.72 19.03 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Q' Q ' 7' ' ' ILE . . . . . 0.471 ' CG2' HD12 ' C' ' 1' ' ' ILE . 4.4 mt . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.945 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 88.0 mt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -112.15 123.33 50.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.07 122.33 69.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.33 129.8 55.65 Favored 'General case' 0 N--CA 1.433 -1.285 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 mt -138.42 115.8 11.18 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.143 0.497 . . . . 0.0 111.262 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -114.69 107.12 15.04 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.109 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 23.7 pt . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.681 -179.189 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -110.15 124.6 51.85 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.34 125.46 72.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.22 128.25 54.52 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' U' U ' 5' ' ' LEU . . . . . 0.504 HD11 HD11 ' G' ' 5' ' ' LEU . 6.6 mt -136.38 127.22 27.46 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.758 0.313 . . . . 0.0 110.895 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -125.86 113.43 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' U' U ' 7' ' ' ILE . . . . . 0.432 ' CG2' HD12 ' G' ' 1' ' ' ILE . 3.5 mt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.955 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 89.2 mt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -110.77 123.48 50.16 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -117.7 122.02 68.82 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.39 129.56 55.48 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 mt -138.44 114.78 10.35 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.069 0.461 . . . . 0.0 111.202 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -113.43 105.8 13.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.429 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' W' W ' 7' ' ' ILE . . . . . 0.421 ' OXT' ' O ' ' Y' ' 6' ' ' GLN . 19.3 pt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.738 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -107.69 124.88 50.65 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -115.09 125.21 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -118.21 128.84 55.08 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Y' Y ' 5' ' ' LEU . . . . . 0.46 HD11 HD11 ' K' ' 5' ' ' LEU . 10.7 mt -136.77 127.13 26.56 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.785 -0.188 . . . . 0.0 110.603 -178.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Y' Y ' 6' ' ' GLN . . . . . 0.421 ' O ' ' OXT' ' W' ' 7' ' ' ILE . 50.8 tt0 -125.49 111.58 15.24 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.003 -179.259 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -112.85 123.13 49.61 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.3 t -118.42 122.66 70.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.79 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -117.97 130.44 56.2 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.532 0.206 . . . . 0.0 110.667 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.629 HD11 HD11 ' O' ' 5' ' ' LEU . 9.4 mt -128.21 123.58 34.6 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.032 -178.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -129.51 106.45 8.76 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.0 mt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.189 -179.332 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 1' ' ' ILE . . . . . 0.781 HD13 HG23 ' E' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -112.25 123.72 50.9 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.483 HG11 HD22 ' Q' ' 5' ' ' LEU . 86.2 t -115.73 125.71 72.99 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -117.69 128.6 55.06 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . 0.688 HD21 HD11 ' C' ' 7' ' ' ILE . 41.5 tp -129.3 113.83 15.49 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.653 -179.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -121.13 113.65 20.32 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.688 HD11 HD21 ' C' ' 5' ' ' LEU . 17.6 mt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.879 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 1' ' ' ILE . . . . . 0.781 HG23 HD13 ' C' ' 1' ' ' ILE . 96.8 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -113.49 123.24 49.56 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 84.3 t -118.69 122.52 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.27 130.08 55.84 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.841 177.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 5' ' ' LEU . . . . . 0.503 HD11 HD11 ' S' ' 5' ' ' LEU . 7.4 mt -127.87 120.45 27.77 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -178.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -126.59 106.37 9.37 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 7' ' ' ILE . . . . . 0.502 HG12 HD12 ' C' ' 7' ' ' ILE . 80.9 mt . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.162 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 1' ' ' ILE . . . . . 0.819 HD13 HG23 ' I' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -112.0 123.76 50.95 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 176.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.531 HG11 HD22 ' U' ' 5' ' ' LEU . 89.1 t -115.67 125.73 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -117.84 128.58 54.98 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 5' ' ' LEU . . . . . 0.713 HD21 HD11 ' G' ' 7' ' ' ILE . 41.5 tp -128.99 113.97 15.83 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.729 0.299 . . . . 0.0 110.722 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -120.93 111.05 17.03 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 7' ' ' ILE . . . . . 0.713 HD11 HD21 ' G' ' 5' ' ' LEU . 21.3 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.911 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 1' ' ' ILE . . . . . 0.819 HG23 HD13 ' G' ' 1' ' ' ILE . 96.7 mt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -113.35 123.3 49.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 79.7 t -118.67 122.77 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.36 129.77 55.62 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 117.752 0.251 . . . . 0.0 111.338 177.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 5' ' ' LEU . . . . . 0.519 HD11 HD11 ' W' ' 5' ' ' LEU . 8.4 mt -127.36 119.06 25.37 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.291 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -125.28 106.38 9.81 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 7' ' ' ILE . . . . . 0.509 HG12 HD12 ' G' ' 7' ' ' ILE . 84.2 mt . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.192 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' K' K ' 1' ' ' ILE . . . . . 0.752 HD13 ' O ' ' K' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 108.939 -0.764 . . . . 0.0 108.939 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.84 123.76 50.73 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.48 HG11 HD22 ' Y' ' 5' ' ' LEU . 88.8 t -115.72 125.71 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.01 129.1 55.38 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' K' K ' 5' ' ' LEU . . . . . 0.615 HD21 HD11 ' K' ' 7' ' ' ILE . 42.0 tp -129.32 115.41 17.54 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.532 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -122.8 107.31 11.74 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' K' K ' 7' ' ' ILE . . . . . 0.615 HD11 HD21 ' K' ' 5' ' ' LEU . 45.0 mt . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.573 -178.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 97.1 mt . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -112.64 123.16 49.68 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 90.6 t -118.38 122.73 70.27 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -118.06 130.59 56.24 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 120.528 0.204 . . . . 0.0 110.745 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' O' O ' 5' ' ' LEU . . . . . 0.629 HD11 HD11 ' A' ' 5' ' ' LEU . 8.7 mt -128.43 123.28 33.34 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.917 -178.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -128.89 106.57 8.99 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.077 -179.338 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' Q' Q ' 1' ' ' ILE . . . . . 0.782 HD13 HG23 ' S' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -112.37 123.6 50.65 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 3' ' ' VAL . . . . . 0.483 HG11 HD22 ' C' ' 5' ' ' LEU . 85.7 t -115.64 125.79 72.94 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -117.98 128.56 54.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 5' ' ' LEU . . . . . 0.673 HD21 HD11 ' Q' ' 7' ' ' ILE . 38.6 tp -128.98 114.16 16.08 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.571 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -121.26 113.55 20.1 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Q' Q ' 7' ' ' ILE . . . . . 0.673 HD11 HD21 ' Q' ' 5' ' ' LEU . 17.7 mt . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.901 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 1' ' ' ILE . . . . . 0.782 HG23 HD13 ' Q' ' 1' ' ' ILE . 97.0 mt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -113.47 123.32 49.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 82.3 t -118.64 122.63 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -118.37 130.09 55.8 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 117.721 0.237 . . . . 0.0 110.892 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 5' ' ' LEU . . . . . 0.503 HD11 HD11 ' E' ' 5' ' ' LEU . 6.9 mt -128.21 120.87 28.11 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -126.92 106.66 9.46 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 7' ' ' ILE . . . . . 0.558 HG12 HD12 ' Q' ' 7' ' ' ILE . 79.2 mt . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.17 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' U' U ' 1' ' ' ILE . . . . . 0.801 HD13 HG23 ' W' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -112.03 123.73 50.89 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' U' U ' 3' ' ' VAL . . . . . 0.508 HG11 HD22 ' G' ' 5' ' ' LEU . 85.1 t -115.64 125.8 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -117.84 128.6 55.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' U' U ' 5' ' ' LEU . . . . . 0.707 HD21 HD11 ' U' ' 7' ' ' ILE . 40.7 tp -129.27 113.89 15.57 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.724 0.297 . . . . 0.0 110.73 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -120.82 111.14 17.18 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' U' U ' 7' ' ' ILE . . . . . 0.707 HD11 HD21 ' U' ' 5' ' ' LEU . 20.7 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.912 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' W' W ' 1' ' ' ILE . . . . . 0.801 HG23 HD13 ' U' ' 1' ' ' ILE . 97.0 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -113.41 123.69 50.67 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.32 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 82.3 t -118.54 122.64 69.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 176.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.23 129.52 55.53 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 117.777 0.262 . . . . 0.0 111.023 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' W' W ' 5' ' ' LEU . . . . . 0.519 HD11 HD11 ' I' ' 5' ' ' LEU . 8.4 mt -127.77 119.84 26.62 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.149 -178.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -126.08 106.71 9.78 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' W' W ' 7' ' ' ILE . . . . . 0.55 HG12 HD12 ' U' ' 7' ' ' ILE . 82.2 mt . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.313 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Y' Y ' 1' ' ' ILE . . . . . 0.771 ' O ' HD13 ' Y' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -110.97 123.91 51.11 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Y' Y ' 3' ' ' VAL . . . . . 0.423 HG11 HD22 ' K' ' 5' ' ' LEU . 89.7 t -115.57 125.85 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -118.11 129.18 55.39 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Y' Y ' 5' ' ' LEU . . . . . 0.626 HD21 HD11 ' Y' ' 7' ' ' ILE . 41.6 tp -129.64 114.96 16.67 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.553 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -122.18 107.5 12.23 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Y' Y ' 7' ' ' ILE . . . . . 0.626 HD11 HD21 ' Y' ' 5' ' ' LEU . 42.4 mt . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.792 -1.099 . . . . 0.0 109.497 -178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.0 tt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.633 0.73 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -113.94 122.8 48.08 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.643 HG11 HD13 ' O' ' 5' ' ' LEU . 59.2 t -118.12 122.21 69.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -118.55 131.08 56.22 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-O 120.723 0.297 . . . . 0.0 111.633 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.844 HD11 HD11 ' O' ' 5' ' ' LEU . 77.4 mt -127.02 122.97 35.95 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.02 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -126.88 108.07 10.66 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.8 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.111 -0.947 . . . . 0.0 109.693 -179.071 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 94.7 mt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -112.37 123.13 49.61 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.411 HG23 ' O ' ' C' ' 3' ' ' VAL . 34.6 m -116.48 125.43 73.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 177.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -118.85 129.33 55.16 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.59 116.97 18.08 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.975 0.417 . . . . 0.0 110.745 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -115.35 113.35 23.68 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 23.8 mm . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 118.154 -0.927 . . . . 0.0 109.816 -179.208 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.367 0.604 . . . . 0.0 109.896 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.94 123.21 49.2 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.745 HG11 HD13 ' S' ' 5' ' ' LEU . 62.6 t -117.75 121.08 66.58 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.218 178.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -119.4 130.13 55.15 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.701 178.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 5' ' ' LEU . . . . . 0.967 HD11 HD11 ' S' ' 5' ' ' LEU . 72.9 mt -126.48 123.29 37.48 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.856 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -127.32 108.57 10.97 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 63.1 mt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.022 -178.859 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -111.72 123.55 50.47 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.419 ' O ' HG23 ' G' ' 3' ' ' VAL . 34.6 m -116.13 125.26 73.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -118.59 129.24 55.22 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.79 117.41 18.53 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.13 0.49 . . . . 0.0 111.177 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -115.97 111.14 19.94 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.487 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 118.174 -0.917 . . . . 0.0 109.945 -179.462 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.86 123.54 50.03 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.72 HG11 HD13 ' W' ' 5' ' ' LEU . 64.1 t -117.45 120.95 66.39 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.533 178.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -119.42 129.87 55.0 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.855 177.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 5' ' ' LEU . . . . . 0.997 HD11 HD11 ' W' ' 5' ' ' LEU . 68.1 mt -126.54 122.6 35.59 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.861 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -125.9 107.98 11.0 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.333 -178.898 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 93.4 mt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -108.88 124.59 50.88 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.448 ' O ' HG23 ' K' ' 3' ' ' VAL . 30.9 m -115.24 125.18 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.89 129.49 55.22 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.59 118.33 19.07 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -117.52 107.25 14.06 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 27.3 mm . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.135 -0.936 . . . . 0.0 109.713 -179.392 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 2.2 tt . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.619 0.723 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -113.77 122.82 48.25 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' O' O ' 3' ' ' VAL . . . . . 0.683 HG11 HD13 ' A' ' 5' ' ' LEU . 61.3 t -118.03 122.22 69.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.6 131.15 56.19 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 120.725 0.298 . . . . 0.0 111.646 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' O' O ' 5' ' ' LEU . . . . . 0.844 HD11 HD11 ' A' ' 5' ' ' LEU . 77.1 mt -126.97 123.52 37.34 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.014 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -127.66 107.82 10.23 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.771 -179.047 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 93.2 mt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -112.22 123.02 49.37 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 177.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 3' ' ' VAL . . . . . 0.434 HG23 ' O ' ' Q' ' 3' ' ' VAL . 34.2 m -116.44 125.47 73.47 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -118.78 129.44 55.24 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.79 116.72 17.62 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.087 0.47 . . . . 0.0 110.736 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -114.99 113.01 23.54 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.074 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 24.5 mm . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.758 -179.374 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.473 0.654 . . . . 0.0 109.822 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.99 123.51 49.88 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.447 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' S' S ' 3' ' ' VAL . . . . . 0.8 HG11 HD13 ' E' ' 5' ' ' LEU . 60.0 t -117.71 121.26 67.02 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.154 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -119.19 130.33 55.44 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.67 178.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' S' S ' 5' ' ' LEU . . . . . 0.967 HD11 HD11 ' E' ' 5' ' ' LEU . 75.0 mt -126.51 123.26 37.38 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.874 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -127.28 108.46 10.88 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 63.3 mt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.169 -178.78 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 92.0 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -111.76 123.54 50.46 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' U' U ' 3' ' ' VAL . . . . . 0.431 ' O ' HG23 ' U' ' 3' ' ' VAL . 34.7 m -116.17 125.34 73.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -118.47 129.33 55.32 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.79 117.34 18.44 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.049 0.452 . . . . 0.0 111.329 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -116.01 111.28 20.12 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.519 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 mm . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.134 -0.936 . . . . 0.0 109.911 -179.485 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.359 0.599 . . . . 0.0 109.714 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.8 123.73 50.53 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 177.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' W' W ' 3' ' ' VAL . . . . . 0.771 HG11 HD13 ' I' ' 5' ' ' LEU . 62.4 t -117.47 121.17 66.94 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.506 177.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -119.35 129.85 55.05 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.568 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' W' W ' 5' ' ' LEU . . . . . 0.997 HD11 HD11 ' I' ' 5' ' ' LEU . 72.2 mt -126.78 121.81 33.01 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.971 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -125.64 108.26 11.39 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 62.4 mt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.358 -178.9 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 87.6 mt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -108.3 124.4 50.28 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Y' Y ' 3' ' ' VAL . . . . . 0.451 HG23 ' O ' ' Y' ' 3' ' ' VAL . 31.7 m -115.24 125.12 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.9 129.94 55.46 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.06 118.23 18.51 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 120.861 0.362 . . . . 0.0 110.97 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -117.2 107.95 15.07 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 27.5 mm . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.144 -0.931 . . . . 0.0 109.737 -179.54 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.51 ' O ' HD12 ' C' ' 1' ' ' ILE . 72.3 mt . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -112.92 122.62 48.19 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 3' ' ' VAL . 34.2 m -118.5 122.82 70.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.043 178.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.75 130.92 56.07 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 116.807 -0.179 . . . . 0.0 110.552 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -124.18 123.81 41.1 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.786 0.327 . . . . 0.0 110.698 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -135.95 110.58 8.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.779 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.7 pt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.476 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 1' ' ' ILE . . . . . 0.957 HG21 HG21 ' Q' ' 7' ' ' ILE . 1.4 tp . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.269 0.557 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -111.21 124.27 51.88 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 38.5 t -114.48 124.74 71.43 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -119.1 128.69 54.54 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . 0.438 HD11 HD11 ' Q' ' 5' ' ' LEU . 20.5 mt -128.31 123.02 32.97 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.671 -178.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -136.48 107.31 6.63 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.965 HG21 HG21 ' Q' ' 1' ' ' ILE . 19.5 mm . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.237 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 1' ' ' ILE . . . . . 0.79 HG23 HG23 ' C' ' 1' ' ' ILE . 60.1 mt . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -111.42 122.31 47.5 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.487 HG23 ' O ' ' E' ' 3' ' ' VAL . 31.1 m -119.05 122.6 69.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 177.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -118.68 130.44 55.84 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 116.797 -0.183 . . . . 0.0 110.773 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 tp -123.1 122.01 37.42 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.198 0.311 . . . . 0.0 111.308 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -134.24 113.34 11.88 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.969 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 7' ' ' ILE . . . . . 0.557 HD11 HD12 ' G' ' 7' ' ' ILE . 44.0 pt . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.755 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 1' ' ' ILE . . . . . 0.932 HG21 HG21 ' U' ' 7' ' ' ILE . 1.3 tp . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 121.078 0.466 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -110.05 124.25 51.14 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 36.8 t -114.57 124.61 71.39 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -118.97 128.63 54.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 5' ' ' LEU . . . . . 0.469 HD11 HD11 ' U' ' 5' ' ' LEU . 22.3 mt -127.66 122.55 33.32 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.533 -178.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -135.55 107.29 7.0 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 7' ' ' ILE . . . . . 0.928 HG21 HG21 ' U' ' 1' ' ' ILE . 19.3 mm . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.256 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 1' ' ' ILE . . . . . 0.655 HG23 HG23 ' G' ' 1' ' ' ILE . 61.8 mt . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -111.92 122.44 47.79 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.477 ' O ' HG23 ' I' ' 3' ' ' VAL . 32.6 m -119.19 122.53 69.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -118.6 130.59 55.96 Favored 'General case' 0 N--CA 1.436 -1.16 0 C-N-CA 121.167 -0.213 . . . . 0.0 110.841 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 53.9 tp -122.81 121.22 35.74 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.762 0.315 . . . . 0.0 111.547 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -133.17 113.53 12.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.19 178.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 7' ' ' ILE . . . . . 0.56 HD11 HD12 ' K' ' 7' ' ' ILE . 43.0 pt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.833 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' K' K ' 1' ' ' ILE . . . . . 0.901 HG21 HG21 ' Y' ' 7' ' ' ILE . 1.2 tp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -107.93 124.68 50.49 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 175.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 30.0 t -114.05 124.73 70.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.79 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -118.8 128.47 54.49 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 mt -126.53 122.6 35.61 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -136.56 106.49 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' K' K ' 7' ' ' ILE . . . . . 0.864 HG21 HG21 ' Y' ' 1' ' ' ILE . 18.0 mm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.18 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' O' O ' 1' ' ' ILE . . . . . 0.499 ' O ' HD12 ' Q' ' 1' ' ' ILE . 71.9 mt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -112.53 122.52 47.94 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' O' O ' 3' ' ' VAL . . . . . 0.508 HG23 ' O ' ' O' ' 3' ' ' VAL . 33.9 m -118.62 122.49 69.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.61 131.04 56.19 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 116.768 -0.197 . . . . 0.0 110.561 178.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 tp -124.18 124.14 41.82 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.752 0.31 . . . . 0.0 110.767 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -136.55 111.1 8.59 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' O' O ' 7' ' ' ILE . . . . . 0.439 HD11 HD12 ' Q' ' 7' ' ' ILE . 44.7 pt . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.451 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 1' ' ' ILE . . . . . 0.965 HG21 HG21 ' C' ' 7' ' ' ILE . 1.4 tp . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.438 0.637 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -110.76 124.51 52.13 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 40.3 t -114.87 124.62 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.8 128.85 54.85 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 177.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 5' ' ' LEU . . . . . 0.438 HD11 HD11 ' C' ' 5' ' ' LEU . 18.0 mt -128.41 122.26 30.96 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.914 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -135.96 107.93 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Q' Q ' 7' ' ' ILE . . . . . 0.957 HG21 HG21 ' C' ' 1' ' ' ILE . 16.3 mm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.137 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' S' S ' 1' ' ' ILE . . . . . 0.583 HG23 HG23 ' Q' ' 1' ' ' ILE . 62.5 mt . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -112.05 122.61 48.23 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.01 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' S' S ' 3' ' ' VAL . . . . . 0.517 ' O ' HG23 ' S' ' 3' ' ' VAL . 31.3 m -118.96 122.59 69.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.16 177.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -118.71 130.48 55.85 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 121.131 -0.227 . . . . 0.0 110.765 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 55.7 tp -122.82 121.0 35.19 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.818 0.342 . . . . 0.0 111.161 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -133.29 113.07 12.2 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.842 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' S' S ' 7' ' ' ILE . . . . . 0.556 HD11 HD12 ' U' ' 7' ' ' ILE . 44.1 pt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.607 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' U' U ' 1' ' ' ILE . . . . . 0.928 HG21 HG21 ' G' ' 7' ' ' ILE . 1.2 tp . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 121.053 0.454 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -109.02 124.35 50.59 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 38.6 t -114.8 124.5 71.52 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -118.6 128.77 54.86 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' U' U ' 5' ' ' LEU . . . . . 0.469 HD11 HD11 ' G' ' 5' ' ' LEU . 21.3 mt -127.89 121.18 29.36 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.818 -178.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -134.64 107.66 7.61 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' U' U ' 7' ' ' ILE . . . . . 0.932 HG21 HG21 ' G' ' 1' ' ' ILE . 17.5 mm . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.198 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' W' W ' 1' ' ' ILE . . . . . 0.518 HG23 HG23 ' U' ' 1' ' ' ILE . 62.8 mt . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -110.87 122.47 47.93 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.424 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' W' W ' 3' ' ' VAL . . . . . 0.496 HG23 ' O ' ' W' ' 3' ' ' VAL . 31.4 m -119.14 122.57 69.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.371 177.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.37 130.3 55.92 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.764 178.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 54.5 tp -122.67 120.12 32.76 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.824 0.345 . . . . 0.0 111.384 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -132.11 113.19 13.03 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.118 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' W' W ' 7' ' ' ILE . . . . . 0.54 HD11 HD12 ' Y' ' 7' ' ' ILE . 43.3 pt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.801 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Y' Y ' 1' ' ' ILE . . . . . 0.864 HG21 HG21 ' K' ' 7' ' ' ILE . 1.3 tp . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -107.6 124.46 49.97 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 34.2 t -114.38 125.0 71.58 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.819 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -118.69 128.97 55.02 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 37.6 mt -126.53 122.02 33.97 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.591 0.234 . . . . 0.0 110.465 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -136.17 106.94 6.59 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Y' Y ' 7' ' ' ILE . . . . . 0.901 HG21 HG21 ' K' ' 1' ' ' ILE . 19.0 mm . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.218 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 92.4 mt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -114.09 122.4 46.75 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.2 t -119.03 121.79 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.26 131.17 55.74 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 120.545 0.212 . . . . 0.0 111.198 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.2 tp -116.89 120.63 39.07 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.67 107.14 9.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 pt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.735 -178.864 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 1' ' ' ILE . . . . . 0.477 HD12 HD12 ' Q' ' 7' ' ' ILE . 90.1 mt . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -111.64 123.23 49.81 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.457 HG12 HD21 ' C' ' 5' ' ' LEU . 62.3 t -116.2 124.42 72.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' HIS . . . . . 0.522 ' C ' HD22 ' C' ' 5' ' ' LEU . 23.5 m170 -119.14 129.35 54.98 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . 0.721 ' N ' HD22 ' C' ' 5' ' ' LEU . 1.9 mm? -117.16 123.0 45.65 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -135.64 117.62 15.3 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.049 0.452 . . . . 0.0 109.923 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.623 HD11 HD13 ' S' ' 1' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 117.811 -1.09 . . . . 0.0 110.494 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 1' ' ' ILE . . . . . 0.636 HD13 HD11 ' Q' ' 7' ' ' ILE . 92.7 mt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -113.77 122.32 46.74 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 64.1 t -119.09 121.41 66.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.51 130.63 55.29 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.149 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 5' ' ' LEU . . . . . 0.4 HD11 ' CG2' ' E' ' 7' ' ' ILE . 60.8 tp -116.1 121.33 41.85 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -130.84 109.65 10.72 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 7' ' ' ILE . . . . . 0.4 ' CG2' HD11 ' E' ' 5' ' ' LEU . 32.2 pt . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.699 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -111.32 123.35 50.04 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.439 HG12 HD21 ' G' ' 5' ' ' LEU . 61.3 t -116.18 124.51 72.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 4' ' ' HIS . . . . . 0.504 ' C ' HD22 ' G' ' 5' ' ' LEU . 25.0 m170 -119.05 129.09 54.92 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 5' ' ' LEU . . . . . 0.722 HD22 ' N ' ' G' ' 5' ' ' LEU . 1.9 mm? -116.66 121.92 43.07 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 178.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -135.62 115.51 13.09 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 7' ' ' ILE . . . . . 0.555 HD11 HD13 ' W' ' 1' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.667 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 1' ' ' ILE . . . . . 0.602 HD13 HD11 ' U' ' 7' ' ' ILE . 90.2 mt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -113.48 122.34 47.0 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 63.3 t -119.03 121.48 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -119.55 130.26 55.07 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.105 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 5' ' ' LEU . . . . . 0.435 HD11 ' CG2' ' I' ' 7' ' ' ILE . 58.7 tp -115.25 120.89 41.21 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.823 0.344 . . . . 0.0 110.578 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -130.82 110.46 11.33 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 7' ' ' ILE . . . . . 0.435 ' CG2' HD11 ' I' ' 5' ' ' LEU . 29.0 pt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.668 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -110.42 123.58 50.14 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.416 HG12 HD21 ' K' ' 5' ' ' LEU . 67.0 t -115.82 124.78 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' K' K ' 4' ' ' HIS . . . . . 0.505 ' C ' HD22 ' K' ' 5' ' ' LEU . 26.6 m170 -118.91 129.22 55.07 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.276 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' K' K ' 5' ' ' LEU . . . . . 0.755 ' N ' HD22 ' K' ' 5' ' ' LEU . 1.7 mm? -116.09 121.76 43.12 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -137.52 114.1 10.34 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 7' ' ' ILE . . . . . 0.403 HD13 HG21 ' K' ' 7' ' ' ILE . 2.0 pt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.391 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 92.3 mt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.82 122.23 46.42 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 66.3 t -118.93 121.72 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.1 131.15 55.9 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 120.469 0.176 . . . . 0.0 111.222 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 62.9 tp -116.96 120.68 39.17 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.8 107.78 9.66 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 47.4 pt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.669 -178.852 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' Q' Q ' 1' ' ' ILE . . . . . 0.464 HD12 HD12 ' C' ' 7' ' ' ILE . 88.5 mt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -111.78 123.21 49.75 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 3' ' ' VAL . . . . . 0.467 HG12 HD21 ' Q' ' 5' ' ' LEU . 60.3 t -116.08 124.36 72.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 4' ' ' HIS . . . . . 0.513 ' C ' HD22 ' Q' ' 5' ' ' LEU . 23.9 m170 -119.33 129.38 54.83 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 5' ' ' LEU . . . . . 0.725 HD22 ' N ' ' Q' ' 5' ' ' LEU . 1.9 mm? -117.14 123.22 46.2 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -135.93 117.67 15.05 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.036 0.446 . . . . 0.0 109.929 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Q' Q ' 7' ' ' ILE . . . . . 0.636 HD11 HD13 ' E' ' 1' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 117.898 -1.048 . . . . 0.0 110.552 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 1' ' ' ILE . . . . . 0.623 HD13 HD11 ' C' ' 7' ' ' ILE . 94.0 mt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -113.73 122.44 47.13 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 63.4 t -119.17 121.45 66.68 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.366 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.49 130.93 55.47 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.102 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 60.5 tp -116.58 121.39 41.61 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -130.91 110.13 11.05 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 32.7 pt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.717 -178.601 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 90.4 mt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -111.37 123.24 49.82 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' U' U ' 3' ' ' VAL . . . . . 0.448 HG12 HD21 ' U' ' 5' ' ' LEU . 61.2 t -116.15 124.57 72.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' U' U ' 4' ' ' HIS . . . . . 0.504 ' C ' HD22 ' U' ' 5' ' ' LEU . 24.5 m170 -119.03 129.2 54.99 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' U' U ' 5' ' ' LEU . . . . . 0.716 ' N ' HD22 ' U' ' 5' ' ' LEU . 1.8 mm? -116.83 121.51 41.73 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -135.23 115.65 13.57 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' U' U ' 7' ' ' ILE . . . . . 0.602 HD11 HD13 ' I' ' 1' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.6 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 1' ' ' ILE . . . . . 0.555 HD13 HD11 ' G' ' 7' ' ' ILE . 93.7 mt . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -113.3 122.44 47.41 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.811 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.0 121.55 67.1 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.47 130.15 55.09 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.851 -0.339 . . . . 0.0 110.834 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' W' W ' 5' ' ' LEU . . . . . 0.432 HD11 ' CG2' ' W' ' 7' ' ' ILE . 58.3 tp -115.73 121.15 41.62 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.867 0.365 . . . . 0.0 110.652 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -131.15 111.21 11.76 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' W' W ' 7' ' ' ILE . . . . . 0.432 ' CG2' HD11 ' W' ' 5' ' ' LEU . 29.7 pt . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.696 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 91.8 mt . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -110.25 123.6 50.09 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Y' Y ' 3' ' ' VAL . . . . . 0.409 HG12 HD21 ' Y' ' 5' ' ' LEU . 66.9 t -115.97 124.7 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Y' Y ' 4' ' ' HIS . . . . . 0.514 ' C ' HD22 ' Y' ' 5' ' ' LEU . 24.0 m170 -118.89 129.39 55.17 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.45 178.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Y' Y ' 5' ' ' LEU . . . . . 0.757 HD22 ' N ' ' Y' ' 5' ' ' LEU . 1.7 mm? -115.97 121.36 42.03 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -136.97 114.01 10.6 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.318 -179.024 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.482 HD12 HD12 ' O' ' 7' ' ' ILE . 82.1 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 108.984 -0.746 . . . . 0.0 108.984 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -113.44 122.88 48.66 Favored 'General case' 0 N--CA 1.438 -1.026 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -117.93 121.64 67.83 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -119.08 130.95 55.87 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.309 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.675 ' C ' HD13 ' A' ' 5' ' ' LEU . 2.7 tm? -121.83 118.56 29.28 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -133.74 119.01 18.75 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.482 HD12 HD12 ' O' ' 1' ' ' ILE . 45.6 pt . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.985 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 93.1 mt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -111.32 123.64 50.62 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.582 HG11 HD13 ' Q' ' 5' ' ' LEU . 58.0 t -115.78 124.97 72.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -119.03 129.6 55.2 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.641 HD13 HG11 ' Q' ' 3' ' ' VAL . 72.3 mt -122.09 123.39 41.46 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -138.77 112.69 8.49 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.442 HG12 HG22 ' E' ' 7' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.678 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.681 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 1' ' ' ILE . . . . . 0.462 HD13 HD11 ' Q' ' 7' ' ' ILE . 83.9 mt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -113.42 122.96 48.9 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.85 121.32 67.1 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -119.32 130.45 55.38 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.188 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 5' ' ' LEU . . . . . 0.647 HD13 ' C ' ' E' ' 5' ' ' LEU . 2.7 tm? -121.55 116.61 24.98 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -133.0 117.85 18.11 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 7' ' ' ILE . . . . . 0.442 HG22 HG12 ' C' ' 7' ' ' ILE . 46.6 pt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.852 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -110.94 123.88 51.02 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.517 HG11 HD13 ' U' ' 5' ' ' LEU . 59.8 t -115.75 124.78 72.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -118.66 129.54 55.36 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 5' ' ' LEU . . . . . 0.549 HD13 HG11 ' U' ' 3' ' ' VAL . 73.0 mt -122.06 122.34 39.05 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -139.15 112.99 8.5 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.597 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 1' ' ' ILE . . . . . 0.474 HD13 HD11 ' U' ' 7' ' ' ILE . 82.0 mt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -112.95 123.03 49.38 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -117.86 121.23 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -119.29 130.27 55.32 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.215 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 5' ' ' LEU . . . . . 0.624 ' C ' HD13 ' I' ' 5' ' ' LEU . 2.8 tm? -121.52 114.48 21.29 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -131.74 117.25 18.35 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.517 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 7' ' ' ILE . . . . . 0.425 HD11 HD13 ' Y' ' 1' ' ' ILE . 43.2 pt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.775 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -110.17 124.16 51.05 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 63.8 t -115.46 125.07 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -118.62 129.79 55.51 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 5' ' ' LEU . . . . . 0.408 HD11 HD11 ' Y' ' 5' ' ' LEU . 76.6 mt -120.95 122.86 41.09 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -141.3 111.57 6.83 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 pt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.585 -179.032 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' O' O ' 1' ' ' ILE . . . . . 0.482 HD12 HD12 ' A' ' 7' ' ' ILE . 82.2 mt . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.63 122.8 48.27 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -117.96 121.62 67.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.396 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.93 131.1 56.02 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-O 120.622 0.249 . . . . 0.0 111.249 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 5' ' ' LEU . . . . . 0.676 HD13 ' C ' ' O' ' 5' ' ' LEU . 2.7 tm? -122.08 118.46 28.78 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -133.88 119.25 18.91 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 7' ' ' ILE . . . . . 0.482 HD12 HD12 ' A' ' 1' ' ' ILE . 44.7 pt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.957 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -111.42 123.82 50.99 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 3' ' ' VAL . . . . . 0.641 HG11 HD13 ' C' ' 5' ' ' LEU . 58.2 t -116.09 124.79 72.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -118.83 129.66 55.34 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 5' ' ' LEU . . . . . 0.582 HD13 HG11 ' C' ' 3' ' ' VAL . 73.1 mt -121.87 123.42 41.7 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -138.77 112.59 8.43 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Q' Q ' 7' ' ' ILE . . . . . 0.467 HG12 HG22 ' S' ' 7' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.676 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 1' ' ' ILE . . . . . 0.422 HD13 HD11 ' C' ' 7' ' ' ILE . 83.5 mt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.51 123.04 49.05 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.9 121.32 67.08 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -119.27 130.57 55.49 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.199 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . 0.655 ' C ' HD13 ' S' ' 5' ' ' LEU . 2.7 tm? -122.01 116.63 24.64 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -133.13 118.27 18.5 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.278 0.561 . . . . 0.0 109.576 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 7' ' ' ILE . . . . . 0.467 HG22 HG12 ' Q' ' 7' ' ' ILE . 46.7 pt . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.703 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 90.6 mt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -111.17 123.79 50.91 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 3' ' ' VAL . . . . . 0.549 HG11 HD13 ' G' ' 5' ' ' LEU . 57.8 t -115.72 124.64 72.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -118.33 129.48 55.46 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 5' ' ' LEU . . . . . 0.54 HD11 HD11 ' G' ' 5' ' ' LEU . 72.3 mt -121.77 121.86 38.21 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -138.77 112.7 8.5 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' U' U ' 7' ' ' ILE . . . . . 0.474 HD11 HD13 ' I' ' 1' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.625 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.568 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 81.8 mt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -112.98 123.05 49.42 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -117.71 121.16 66.79 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -119.28 130.23 55.31 Favored 'General case' 0 N--CA 1.44 -0.973 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.103 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 5' ' ' LEU . . . . . 0.629 ' C ' HD13 ' W' ' 5' ' ' LEU . 2.7 tm? -121.89 114.45 21.04 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -131.78 117.86 19.14 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.72 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 7' ' ' ILE . . . . . 0.416 HG22 HG12 ' U' ' 7' ' ' ILE . 42.7 pt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.801 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 1' ' ' ILE . . . . . 0.425 HD13 HD11 ' I' ' 7' ' ' ILE . 90.3 mt . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -110.26 123.99 50.8 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 64.7 t -115.61 125.04 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.39 129.81 55.63 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 5' ' ' LEU . . . . . 0.408 HD11 HD11 ' K' ' 5' ' ' LEU . 76.8 mt -120.57 121.66 38.88 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -139.95 111.75 7.41 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 pt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.589 -179.11 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.619 ' O ' HD13 ' C' ' 1' ' ' ILE . 95.7 mt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -115.02 121.99 44.83 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.605 HG11 HD13 ' O' ' 5' ' ' LEU . 42.2 t -119.05 122.43 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.63 130.95 56.15 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.911 HD11 HD11 ' O' ' 5' ' ' LEU . 74.8 mt -122.47 118.14 27.63 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.616 179.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -127.02 105.97 8.96 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.203 -178.908 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . 0.619 HD13 ' O ' ' A' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -112.68 123.05 49.42 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 176.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.559 HG11 HD22 ' Q' ' 5' ' ' LEU . 70.1 t -116.1 125.44 73.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -118.04 129.37 55.52 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.574 HD22 HG11 ' Q' ' 3' ' ' VAL . 44.3 tp -126.21 124.83 41.3 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.822 0.344 . . . . 0.0 110.733 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -136.45 114.71 11.63 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.102 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.642 ' H ' HD12 ' C' ' 7' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.287 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 1' ' ' ILE . . . . . 0.581 ' O ' HD13 ' G' ' 1' ' ' ILE . 81.1 mt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.88 122.11 46.03 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.601 HG11 HD13 ' S' ' 5' ' ' LEU . 44.1 t -119.11 122.13 68.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.77 130.41 55.78 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.934 178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 5' ' ' LEU . . . . . 1.073 HD11 HD11 ' S' ' 5' ' ' LEU . 62.7 mt -122.52 116.89 24.69 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.873 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 6' ' ' GLN . . . . . 0.416 ' O ' HD12 ' C' ' 7' ' ' ILE . 52.2 tt0 -124.86 107.18 10.63 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 7' ' ' ILE . . . . . 0.401 HG12 HD13 ' C' ' 7' ' ' ILE . 4.6 mt . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.351 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 1' ' ' ILE . . . . . 0.581 HD13 ' O ' ' E' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -112.25 123.11 49.57 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.539 -0.864 . . . . 0.0 108.838 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.52 HG11 HD22 ' U' ' 5' ' ' LEU . 63.9 t -116.38 125.12 73.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -118.1 129.31 55.47 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 5' ' ' LEU . . . . . 0.528 HD22 HG11 ' U' ' 3' ' ' VAL . 45.4 tp -126.2 124.59 40.79 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.986 0.422 . . . . 0.0 110.827 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -135.78 111.84 9.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.323 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 7' ' ' ILE . . . . . 0.551 ' H ' HD12 ' G' ' 7' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.335 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 1' ' ' ILE . . . . . 0.529 HG23 HG22 ' G' ' 1' ' ' ILE . 68.5 mt . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -113.46 122.35 47.03 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.618 HG11 HD13 ' W' ' 5' ' ' LEU . 45.8 t -118.98 122.03 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.86 129.75 55.38 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.893 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 5' ' ' LEU . . . . . 1.048 HD11 HD11 ' W' ' 5' ' ' LEU . 58.7 mt -122.26 112.82 18.61 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.052 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 6' ' ' GLN . . . . . 0.481 ' O ' HD12 ' G' ' 7' ' ' ILE . 52.1 tt0 -120.81 106.82 12.03 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.553 -179.53 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' K' K ' 1' ' ' ILE . . . . . 0.441 HD13 ' O ' ' I' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.764 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.86 123.12 49.5 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 62.9 t -116.3 125.49 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -118.09 129.41 55.53 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 5' ' ' LEU . . . . . 0.435 ' HG ' HD11 ' K' ' 7' ' ' ILE . 42.9 tp -126.68 124.52 40.02 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.885 0.374 . . . . 0.0 110.71 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -136.26 109.22 7.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.171 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 7' ' ' ILE . . . . . 0.522 ' H ' HD12 ' K' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.269 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 1' ' ' ILE . . . . . 0.654 ' O ' HD13 ' Q' ' 1' ' ' ILE . 92.3 mt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -115.11 122.11 45.09 Favored 'General case' 0 N--CA 1.437 -1.112 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 3' ' ' VAL . . . . . 0.633 HG11 HD13 ' A' ' 5' ' ' LEU . 42.2 t -119.04 122.3 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -118.53 131.0 56.23 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 5' ' ' LEU . . . . . 0.911 HD11 HD11 ' A' ' 5' ' ' LEU . 76.2 mt -122.29 119.51 31.35 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -127.82 106.66 9.27 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.194 -178.761 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Q' Q ' 1' ' ' ILE . . . . . 0.654 HD13 ' O ' ' O' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -113.11 123.01 49.26 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 176.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 3' ' ' VAL . . . . . 0.574 HG11 HD22 ' C' ' 5' ' ' LEU . 63.9 t -116.44 125.52 73.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.13 129.51 55.57 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 5' ' ' LEU . . . . . 0.559 HD22 HG11 ' C' ' 3' ' ' VAL . 45.5 tp -126.49 124.73 40.73 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.753 0.311 . . . . 0.0 110.728 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -135.97 116.48 13.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.214 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Q' Q ' 7' ' ' ILE . . . . . 0.632 ' H ' HD12 ' Q' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.234 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 1' ' ' ILE . . . . . 0.594 ' O ' HD13 ' U' ' 1' ' ' ILE . 75.3 mt . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -114.37 122.25 46.08 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 3' ' ' VAL . . . . . 0.667 HG11 HD13 ' E' ' 5' ' ' LEU . 43.1 t -119.28 122.22 68.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 177.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.64 130.65 55.98 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.775 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . 1.073 HD11 HD11 ' E' ' 5' ' ' LEU . 65.1 mt -122.35 116.9 24.85 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.815 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -125.29 106.92 10.21 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 mt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.222 -179.175 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' U' U ' 1' ' ' ILE . . . . . 0.594 HD13 ' O ' ' S' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -112.34 122.84 48.87 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 119.647 -0.821 . . . . 0.0 108.846 175.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 3' ' ' VAL . . . . . 0.528 HG11 HD22 ' G' ' 5' ' ' LEU . 65.2 t -116.58 125.52 73.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -118.06 129.48 55.58 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 5' ' ' LEU . . . . . 0.52 HD22 HG11 ' G' ' 3' ' ' VAL . 46.1 tp -126.35 123.79 38.8 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.904 0.383 . . . . 0.0 110.78 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -134.96 112.44 10.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.343 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' U' U ' 7' ' ' ILE . . . . . 0.561 ' H ' HD12 ' U' ' 7' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.305 179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 1' ' ' ILE . . . . . 0.521 HG23 HG22 ' U' ' 1' ' ' ILE . 70.6 mt . . . . . 0 N--CA 1.493 1.711 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -113.6 122.39 47.08 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 3' ' ' VAL . . . . . 0.685 HG11 HD13 ' I' ' 5' ' ' LEU . 44.5 t -119.16 122.08 68.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.45 129.83 55.61 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 118.312 0.505 . . . . 0.0 111.719 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 5' ' ' LEU . . . . . 1.048 HD11 HD11 ' I' ' 5' ' ' LEU . 62.6 mt -122.39 112.37 18.0 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.087 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 6' ' ' GLN . . . . . 0.495 ' O ' HD12 ' U' ' 7' ' ' ILE . 52.3 tt0 -120.76 107.22 12.49 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 mt . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.517 -179.437 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Y' Y ' 1' ' ' ILE . . . . . 0.448 HD13 ' O ' ' W' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -110.4 122.71 48.36 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 67.4 t -116.43 125.87 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -118.21 129.9 55.76 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 5' ' ' LEU . . . . . 0.402 ' HG ' HD11 ' Y' ' 7' ' ' ILE . 43.3 tp -126.56 123.99 38.96 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.891 0.377 . . . . 0.0 110.823 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -135.82 108.97 7.72 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.05 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 7' ' ' ILE . . . . . 0.522 ' H ' HD12 ' Y' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.22 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -113.15 122.86 48.79 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.7 t -117.88 122.23 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.54 131.32 56.22 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 120.607 0.241 . . . . 0.0 111.18 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.471 HD12 ' CG1' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -137.32 112.87 9.41 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.333 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -112.43 113.44 25.63 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.471 ' CG1' HD12 ' A' ' 5' ' ' LEU . 6.3 mt . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.016 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.81 124.63 52.39 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -114.83 125.28 72.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -118.07 129.23 55.44 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.48 ' HB3' HD22 ' E' ' 5' ' ' LEU . 0.0 OUTLIER -138.12 119.26 14.5 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.932 0.396 . . . . 0.0 110.036 -179.263 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -120.87 112.23 18.53 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.098 -179.003 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.15 123.25 49.79 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.407 HG11 ' HG ' ' S' ' 5' ' ' LEU . 49.1 t -117.77 121.88 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -118.74 130.4 55.79 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-O 120.885 0.374 . . . . 0.0 111.107 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 5' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' C' ' 5' ' ' LEU . 0.0 OUTLIER -134.91 113.25 11.35 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.793 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -113.92 115.25 27.38 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 7' ' ' ILE . . . . . 0.47 ' CG1' HD12 ' E' ' 5' ' ' LEU . 4.5 mt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.055 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 94.9 mt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -110.13 124.75 52.1 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 65.5 t -114.87 125.3 72.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -117.97 128.73 55.08 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 5' ' ' LEU . . . . . 0.476 ' HB3' HD22 ' I' ' 5' ' ' LEU . 0.0 OUTLIER -136.39 118.6 15.54 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.825 0.345 . . . . 0.0 110.119 -179.079 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -120.85 110.96 16.95 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.193 -179.243 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -113.06 123.54 50.53 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.409 HG11 ' HG ' ' W' ' 5' ' ' LEU . 47.7 t -117.71 122.17 69.16 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -118.53 130.12 55.74 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.29 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 5' ' ' LEU . . . . . 0.48 HD12 ' CG1' ' I' ' 7' ' ' ILE . 0.0 OUTLIER -134.18 112.07 10.8 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.992 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -113.34 116.68 30.07 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 7' ' ' ILE . . . . . 0.48 ' CG1' HD12 ' I' ' 5' ' ' LEU . 4.5 mt . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.218 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 95.1 mt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -107.71 125.3 51.21 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 65.0 t -114.7 125.5 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -118.11 129.37 55.5 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.35 119.2 16.24 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -178.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -122.53 108.57 13.3 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.15 -179.151 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -112.35 123.0 49.33 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 48.0 t -117.93 122.28 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.57 131.19 56.21 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 120.66 0.267 . . . . 0.0 111.135 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 5' ' ' LEU . . . . . 0.459 HD12 ' CG1' ' O' ' 7' ' ' ILE . 0.0 OUTLIER -137.12 112.52 9.27 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.379 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -111.97 113.69 26.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 7' ' ' ILE . . . . . 0.459 ' CG1' HD12 ' O' ' 5' ' ' LEU . 6.0 mt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.088 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 94.3 mt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.83 124.56 52.27 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 68.5 t -114.77 125.27 72.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.18 129.19 55.36 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 178.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 5' ' ' LEU . . . . . 0.496 ' HB3' HD22 ' S' ' 5' ' ' LEU . 0.0 OUTLIER -138.22 119.07 14.18 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.174 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -120.51 112.28 18.74 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Q' Q ' 7' ' ' ILE . . . . . 0.403 HD13 HG21 ' Q' ' 7' ' ' ILE . 7.3 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.08 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.34 123.33 49.86 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 3' ' ' VAL . . . . . 0.418 HG11 ' HG ' ' E' ' 5' ' ' LEU . 47.9 t -117.89 121.95 68.58 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -118.69 130.35 55.79 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-O 120.849 0.357 . . . . 0.0 111.052 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' Q' ' 5' ' ' LEU . 0.0 OUTLIER -134.86 112.8 10.97 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.76 179.739 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -113.42 115.54 28.22 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 7' ' ' ILE . . . . . 0.475 ' CG1' HD12 ' S' ' 5' ' ' LEU . 4.7 mt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.007 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 93.3 mt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.17 124.81 52.23 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 67.2 t -114.93 125.4 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -118.0 128.78 55.12 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 5' ' ' LEU . . . . . 0.472 ' HB3' HD22 ' W' ' 5' ' ' LEU . 0.0 OUTLIER -136.67 118.46 15.1 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.889 0.376 . . . . 0.0 110.114 -179.139 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -120.63 111.21 17.36 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.234 -179.291 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -113.17 123.54 50.46 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 3' ' ' VAL . . . . . 0.411 HG11 ' HG ' ' I' ' 5' ' ' LEU . 47.2 t -117.62 122.15 69.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 177.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -118.48 129.94 55.66 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.185 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 5' ' ' LEU . . . . . 0.487 HD12 ' CG1' ' W' ' 7' ' ' ILE . 0.0 OUTLIER -134.15 111.92 10.7 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.028 179.721 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -113.15 116.89 30.54 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 7' ' ' ILE . . . . . 0.487 ' CG1' HD12 ' W' ' 5' ' ' LEU . 4.4 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.12 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -107.6 125.06 50.85 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 67.1 t -114.71 125.42 72.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -117.87 129.62 55.76 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.6 119.86 16.76 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.798 0.333 . . . . 0.0 110.203 -179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -122.83 108.7 13.3 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.085 -0.96 . . . . 0.0 110.086 -179.131 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.501 HG21 HD12 ' O' ' 7' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.527 0.68 . . . . 0.0 109.446 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -113.9 122.66 47.68 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.432 HG21 ' CD2' ' O' ' 5' ' ' LEU . 62.5 t -118.02 121.77 68.09 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.313 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 177.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.53 131.56 56.22 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 120.662 0.268 . . . . 0.0 111.179 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.436 ' CD2' HG21 ' O' ' 3' ' ' VAL . 63.1 tp -120.11 121.51 39.0 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.312 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -129.39 116.72 19.46 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 177.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.495 HD12 HG21 ' O' ' 1' ' ' ILE . 48.5 pt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.893 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -111.79 123.89 51.2 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.635 HG11 HD13 ' Q' ' 5' ' ' LEU . 58.5 t -115.7 125.09 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 177.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.98 130.19 55.56 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.654 HD13 HG11 ' Q' ' 3' ' ' VAL . 73.1 mt -121.83 125.22 45.99 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -138.32 115.74 11.2 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.51 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 1' ' ' ILE . . . . . 0.438 HG21 HD12 ' S' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.368 0.604 . . . . 0.0 109.557 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -114.18 122.58 47.24 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.04 121.23 66.79 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.8 131.4 56.1 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-O 120.583 0.23 . . . . 0.0 111.216 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 5' ' ' LEU . . . . . 0.403 HD11 ' CG2' ' E' ' 7' ' ' ILE . 62.8 tp -120.02 121.72 39.55 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.087 0.47 . . . . 0.0 110.828 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.8 116.34 18.58 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 7' ' ' ILE . . . . . 0.431 HD12 HG21 ' S' ' 1' ' ' ILE . 44.5 pt . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.959 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -111.23 124.08 51.5 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.614 HG11 HD13 ' U' ' 5' ' ' LEU . 57.7 t -115.54 125.04 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.8 129.96 55.52 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 5' ' ' LEU . . . . . 0.624 HD13 HG11 ' U' ' 3' ' ' VAL . 73.0 mt -121.53 124.35 44.18 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.767 0.318 . . . . 0.0 110.145 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -137.54 115.55 11.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.544 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -114.0 122.64 47.55 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 61.0 t -118.09 121.22 66.74 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -119.0 131.34 56.0 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.512 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 5' ' ' LEU . . . . . 0.408 HD11 ' CG2' ' I' ' 7' ' ' ILE . 61.7 tp -119.76 121.2 38.64 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.023 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.43 115.37 17.4 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 7' ' ' ILE . . . . . 0.408 ' CG2' HD11 ' I' ' 5' ' ' LEU . 39.6 pt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.076 -0.964 . . . . 0.0 111.023 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -109.03 124.42 50.7 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.492 HG11 HD13 ' Y' ' 5' ' ' LEU . 62.6 t -115.18 124.97 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -118.77 130.02 55.56 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 5' ' ' LEU . . . . . 0.491 HD13 HG11 ' Y' ' 3' ' ' VAL . 76.5 mt -120.66 123.48 42.88 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.846 0.355 . . . . 0.0 110.409 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -137.5 115.79 11.82 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.452 -178.727 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' O' O ' 1' ' ' ILE . . . . . 0.495 HG21 HD12 ' A' ' 7' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.487 0.661 . . . . 0.0 109.485 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -113.87 122.59 47.48 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 3' ' ' VAL . . . . . 0.436 HG21 ' CD2' ' A' ' 5' ' ' LEU . 62.5 t -117.98 121.76 68.08 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.46 131.53 56.26 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-O 120.655 0.264 . . . . 0.0 111.216 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 5' ' ' LEU . . . . . 0.432 ' CD2' HG21 ' A' ' 3' ' ' VAL . 62.9 tp -120.1 121.55 39.09 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.307 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -129.39 116.68 19.39 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 7' ' ' ILE . . . . . 0.501 HD12 HG21 ' A' ' 1' ' ' ILE . 48.6 pt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.92 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -111.77 123.93 51.28 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 3' ' ' VAL . . . . . 0.654 HG11 HD13 ' C' ' 5' ' ' LEU . 58.4 t -115.71 125.03 72.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.87 130.26 55.64 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 5' ' ' LEU . . . . . 0.635 HD13 HG11 ' C' ' 3' ' ' VAL . 73.7 mt -121.88 125.24 45.98 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -138.32 115.77 11.23 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.471 0.585 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.496 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 1' ' ' ILE . . . . . 0.431 HG21 HD12 ' E' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.334 0.587 . . . . 0.0 109.512 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -114.16 122.61 47.34 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.08 121.27 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.83 131.43 56.08 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-O 120.553 0.216 . . . . 0.0 111.15 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . 0.401 HD11 ' CG2' ' S' ' 7' ' ' ILE . 63.0 tp -120.0 121.68 39.48 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.018 0.437 . . . . 0.0 110.831 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.83 116.34 18.56 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 7' ' ' ILE . . . . . 0.438 HD12 HG21 ' E' ' 1' ' ' ILE . 44.8 pt . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.927 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -111.18 124.1 51.52 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 3' ' ' VAL . . . . . 0.624 HG11 HD13 ' G' ' 5' ' ' LEU . 57.7 t -115.49 125.07 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -118.83 130.05 55.55 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 5' ' ' LEU . . . . . 0.614 HD13 HG11 ' G' ' 3' ' ' VAL . 72.9 mt -121.59 124.33 44.1 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 120.774 0.321 . . . . 0.0 110.146 179.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -137.53 115.51 11.56 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.571 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 1' ' ' ILE . . . . . 0.405 HG21 HD12 ' I' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -113.95 122.71 47.8 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 60.1 t -118.12 121.27 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.37 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.93 131.26 56.03 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.36 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 5' ' ' LEU . . . . . 0.407 HD11 ' CG2' ' W' ' 7' ' ' ILE . 61.9 tp -119.91 121.04 38.15 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.058 0.456 . . . . 0.0 110.99 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.36 115.44 17.55 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 7' ' ' ILE . . . . . 0.407 ' CG2' HD11 ' W' ' 5' ' ' LEU . 39.9 pt . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.993 -1.003 . . . . 0.0 111.035 -178.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -108.92 124.46 50.71 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 3' ' ' VAL . . . . . 0.491 HG11 HD13 ' K' ' 5' ' ' LEU . 61.5 t -115.19 124.96 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -118.68 130.04 55.62 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 5' ' ' LEU . . . . . 0.492 HD13 HG11 ' K' ' 3' ' ' VAL . 76.1 mt -120.69 123.43 42.73 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 120.815 0.34 . . . . 0.0 110.389 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -137.48 115.99 12.01 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.454 -178.714 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.403 ' CD1' HD12 ' O' ' 7' ' ' ILE . 95.8 mt . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -113.46 122.79 48.36 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.4 t -118.32 122.77 70.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.16 131.58 56.39 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 121.023 0.439 . . . . 0.0 112.129 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.516 HD11 ' CG2' ' A' ' 7' ' ' ILE . 48.9 tp -118.68 121.71 40.77 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.489 178.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -137.77 107.15 6.11 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.516 ' CG2' HD11 ' A' ' 5' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.468 0.437 0 CA-C-O 117.887 -1.054 . . . . 0.0 109.939 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . 0.446 HD13 HD11 ' O' ' 7' ' ' ILE . 91.1 mt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -111.36 123.96 51.27 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 67.1 t -115.55 125.31 72.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.13 128.96 55.24 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.658 HD11 HD11 ' Q' ' 5' ' ' LEU . 18.7 mt -123.75 111.54 16.27 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.392 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -127.38 115.2 18.58 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 pt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.111 -0.947 . . . . 0.0 110.283 -179.347 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.51 122.82 48.42 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -118.35 122.14 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -118.53 130.77 56.1 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 5' ' ' LEU . . . . . 0.512 HD11 ' CG2' ' E' ' 7' ' ' ILE . 51.2 tp -117.81 120.77 38.92 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.234 178.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -136.57 107.46 6.66 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 7' ' ' ILE . . . . . 0.544 HD11 HD13 ' U' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.469 0.505 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.837 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 1' ' ' ILE . . . . . 0.543 HD13 HD11 ' S' ' 7' ' ' ILE . 87.9 mt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -110.46 124.11 51.15 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 74.1 t -115.36 125.27 72.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.583 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -117.96 128.74 55.09 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 5' ' ' LEU . . . . . 0.599 HD11 HD11 ' U' ' 5' ' ' LEU . 23.2 mt -122.76 111.05 16.24 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 121.14 -0.224 . . . . 0.0 110.523 -178.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -126.93 115.69 19.66 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.315 0.578 . . . . 0.0 109.467 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 pt . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.325 -179.198 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -113.1 122.78 48.57 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -118.25 122.0 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -118.45 130.7 56.1 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 5' ' ' LEU . . . . . 0.507 HD11 ' CG2' ' I' ' 7' ' ' ILE . 53.4 tp -117.5 119.4 34.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.325 178.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -135.17 106.97 6.99 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 7' ' ' ILE . . . . . 0.539 HD11 HD13 ' Y' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.241 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 1' ' ' ILE . . . . . 0.52 HD13 HD11 ' W' ' 7' ' ' ILE . 89.4 mt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -107.72 124.28 49.78 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 86.1 t -115.2 125.48 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -117.81 128.84 55.25 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 5' ' ' LEU . . . . . 0.418 HD11 HD11 ' Y' ' 5' ' ' LEU . 42.2 mt -121.3 111.31 17.2 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.598 0.237 . . . . 0.0 110.557 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -128.62 114.29 16.49 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 46.2 pt . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.497 -179.105 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' O' O ' 1' ' ' ILE . . . . . 0.42 ' CD1' HD12 ' A' ' 7' ' ' ILE . 95.8 mt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -113.59 122.81 48.35 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -118.17 122.68 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.19 131.51 56.38 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-O 120.948 0.404 . . . . 0.0 112.021 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 5' ' ' LEU . . . . . 0.501 HD11 ' CG2' ' O' ' 7' ' ' ILE . 50.6 tp -118.78 121.88 41.11 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.561 178.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -137.65 107.14 6.15 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 7' ' ' ILE . . . . . 0.501 ' CG2' HD11 ' O' ' 5' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.511 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.034 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 1' ' ' ILE . . . . . 0.474 HD13 HD11 ' A' ' 7' ' ' ILE . 89.1 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -111.55 123.99 51.36 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 67.4 t -115.49 125.35 72.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -118.15 128.95 55.21 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 5' ' ' LEU . . . . . 0.658 HD11 HD11 ' C' ' 5' ' ' LEU . 18.5 mt -123.77 111.3 15.98 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 121.135 -0.226 . . . . 0.0 110.443 -178.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -127.07 114.65 18.03 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 pt . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.235 -179.368 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -113.72 122.83 48.31 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t -118.33 122.05 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -118.5 130.8 56.13 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . 0.504 HD11 ' CG2' ' S' ' 7' ' ' ILE . 52.8 tp -117.97 120.66 38.51 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.207 178.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -136.48 107.33 6.64 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 7' ' ' ILE . . . . . 0.543 HD11 HD13 ' G' ' 1' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.468 0.471 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.91 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' U' U ' 1' ' ' ILE . . . . . 0.544 HD13 HD11 ' E' ' 7' ' ' ILE . 86.8 mt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.29 123.89 50.64 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 70.4 t -115.27 125.17 72.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 178.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -118.02 128.7 55.03 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 5' ' ' LEU . . . . . 0.599 HD11 HD11 ' G' ' 5' ' ' LEU . 22.8 mt -122.98 110.61 15.59 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.541 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -126.37 115.75 20.12 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 45.8 pt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.397 -179.3 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -113.26 122.89 48.82 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -118.2 122.07 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -118.4 130.53 56.04 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 5' ' ' LEU . . . . . 0.509 HD11 ' CG2' ' W' ' 7' ' ' ILE . 51.9 tp -117.71 119.23 34.3 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.313 178.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -135.14 106.99 7.01 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 7' ' ' ILE . . . . . 0.52 HD11 HD13 ' K' ' 1' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.413 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 1' ' ' ILE . . . . . 0.539 HD13 HD11 ' I' ' 7' ' ' ILE . 86.3 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -107.73 124.13 49.56 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 82.3 t -115.37 125.61 72.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -117.88 129.07 55.41 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 5' ' ' LEU . . . . . 0.418 HD11 HD11 ' K' ' 5' ' ' LEU . 43.4 mt -121.4 110.78 16.5 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.622 0.249 . . . . 0.0 110.495 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -128.15 114.12 16.6 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 46.7 pt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.067 -0.968 . . . . 0.0 110.34 -179.012 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -113.63 123.71 50.58 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.39 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.8 122.75 70.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.6 130.99 56.19 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 120.63 0.253 . . . . 0.0 110.886 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.66 108.99 7.81 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.845 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -106.46 111.54 24.15 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.8 mt . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.237 -179.421 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -111.33 123.08 49.48 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.439 HG23 ' O ' ' C' ' 3' ' ' VAL . 34.9 m -116.59 125.69 73.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -118.62 129.48 55.34 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.414 ' HB2' HD22 ' E' ' 5' ' ' LEU . 4.3 mp -135.59 128.9 32.04 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.805 0.336 . . . . 0.0 110.538 178.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -122.84 109.5 14.26 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.629 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 76.9 mt . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.36 179.872 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 94.2 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.56 124.29 52.0 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.64 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.417 HG11 ' HG ' ' S' ' 5' ' ' LEU . 45.4 t -117.79 122.7 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.45 130.56 56.03 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 120.95 0.405 . . . . 0.0 110.95 176.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 5' ' ' LEU . . . . . 0.425 ' HG ' HG11 ' S' ' 3' ' ' VAL . 0.0 OUTLIER -135.18 107.7 7.37 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.944 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -106.93 113.48 26.99 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.674 -0.41 . . . . 0.0 109.998 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 24.3 mt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.21 -179.235 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 93.2 mt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -110.91 123.37 50.02 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.424 ' O ' HG23 ' G' ' 3' ' ' VAL . 34.8 m -115.98 126.09 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 176.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -118.53 129.43 55.35 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 5' ' ' LEU . . . . . 0.473 ' HB2' HD22 ' I' ' 5' ' ' LEU . 4.5 mp -135.92 128.49 30.64 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.702 0.287 . . . . 0.0 110.548 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -122.46 109.16 14.02 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.836 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 79.3 mt . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.442 179.866 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 93.7 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -113.84 124.25 51.78 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.053 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.498 HG11 ' HG ' ' W' ' 5' ' ' LEU . 42.8 t -117.75 122.59 70.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.484 177.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.39 130.17 55.83 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-O 120.961 0.41 . . . . 0.0 111.082 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 5' ' ' LEU . . . . . 0.484 ' HG ' HG11 ' W' ' 3' ' ' VAL . 0.0 OUTLIER -134.92 107.12 7.18 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.812 179.692 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -106.51 113.99 27.83 Favored 'General case' 0 C--O 1.224 -0.267 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.117 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.259 -179.257 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 89.1 mt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -110.09 124.72 52.0 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.459 ' O ' HG23 ' K' ' 3' ' ' VAL . 35.9 m -115.5 125.82 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -118.31 129.58 55.53 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -136.12 127.53 28.49 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.534 0.207 . . . . 0.0 110.538 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -122.12 107.55 12.31 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 79.5 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.348 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.51 123.77 50.8 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -117.7 122.75 70.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.26 130.91 56.33 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 120.743 0.306 . . . . 0.0 110.993 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 5' ' ' LEU . . . . . 0.407 ' HA ' HD13 ' O' ' 5' ' ' LEU . 0.0 OUTLIER -135.75 110.11 8.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.712 179.673 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -108.19 111.02 22.8 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.226 -179.342 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -110.94 122.91 49.07 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 3' ' ' VAL . . . . . 0.434 HG23 ' O ' ' Q' ' 3' ' ' VAL . 34.8 m -116.39 126.0 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 176.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -118.66 129.76 55.48 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 5' ' ' LEU . . . . . 0.44 ' HB2' HD22 ' S' ' 5' ' ' LEU . 4.3 mp -136.49 127.46 27.66 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.805 0.336 . . . . 0.0 110.626 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -121.69 109.56 14.88 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.672 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.378 179.796 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -113.55 124.11 51.58 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.094 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 3' ' ' VAL . . . . . 0.425 HG11 ' HG ' ' E' ' 5' ' ' LEU . 44.2 t -117.76 122.67 70.33 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.036 178.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.91 130.21 55.6 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-O 120.887 0.375 . . . . 0.0 110.862 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . 0.44 HD22 ' HB2' ' Q' ' 5' ' ' LEU . 0.0 OUTLIER -134.32 108.62 8.31 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.872 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -107.62 113.03 26.05 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.278 -179.248 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 93.0 mt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -110.74 123.38 49.93 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' U' U ' 3' ' ' VAL . . . . . 0.429 ' O ' HG23 ' U' ' 3' ' ' VAL . 34.8 m -116.1 125.71 73.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 176.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -118.13 129.43 55.53 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' U' U ' 5' ' ' LEU . . . . . 0.47 ' HB2' HD22 ' W' ' 5' ' ' LEU . 4.5 mp -135.92 127.48 28.79 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.742 0.306 . . . . 0.0 110.711 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -121.57 109.15 14.44 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.849 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--O 1.222 -0.367 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.417 179.8 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 94.1 mt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -113.5 124.02 51.39 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 3' ' ' VAL . . . . . 0.484 HG11 ' HG ' ' I' ' 5' ' ' LEU . 44.6 t -117.8 122.36 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.31 177.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.54 130.44 55.91 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-O 120.925 0.393 . . . . 0.0 111.002 177.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 5' ' ' LEU . . . . . 0.498 ' HG ' HG11 ' I' ' 3' ' ' VAL . 0.0 OUTLIER -135.77 107.1 6.82 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.922 179.734 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -106.75 114.16 28.09 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.218 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.236 -179.286 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 91.0 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -110.09 124.68 51.94 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 3' ' ' VAL . . . . . 0.449 HG23 ' O ' ' Y' ' 3' ' ' VAL . 35.3 m -115.55 125.78 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.26 129.65 55.59 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -136.14 127.82 28.98 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 121.232 -0.187 . . . . 0.0 110.571 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -122.76 106.98 11.4 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 81.3 mt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.335 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.419 HG21 HD13 ' O' ' 7' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.529 0.681 . . . . 0.0 109.922 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -113.72 123.37 49.72 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.539 HG11 HD13 ' O' ' 5' ' ' LEU . 65.7 t -117.35 122.07 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.46 131.21 56.27 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 120.453 0.168 . . . . 0.0 110.718 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.448 HD11 HD11 ' O' ' 5' ' ' LEU . 53.3 mt -115.75 111.47 20.6 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -126.52 105.57 8.84 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.809 ' O ' HD12 ' A' ' 7' ' ' ILE . 1.5 pp . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.115 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 89.5 mt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -111.72 122.75 48.64 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 60.0 t -116.5 125.44 73.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.31 130.05 55.81 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.5 HD23 ' N ' ' C' ' 6' ' ' GLN . 1.5 tt -115.93 117.15 29.35 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . 0.5 ' N ' HD23 ' C' ' 5' ' ' LEU . 51.0 tt0 -137.54 120.47 16.5 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.251 0.548 . . . . 0.0 110.674 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 pt . . . . . 0 N--CA 1.471 0.605 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.729 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 1' ' ' ILE . . . . . 0.545 HG21 HD13 ' S' ' 7' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.48 0.657 . . . . 0.0 109.962 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -114.38 123.29 49.1 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.846 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 75.4 t -117.58 121.8 68.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.67 131.11 56.16 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.0 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 5' ' ' LEU . . . . . 0.474 HD11 HD11 ' S' ' 5' ' ' LEU . 43.8 mt -114.94 113.4 24.09 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.448 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -129.44 105.24 7.96 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.605 0.717 . . . . 0.0 109.334 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 7' ' ' ILE . . . . . 0.818 ' O ' HD12 ' E' ' 7' ' ' ILE . 1.3 pp . . . . . 0 C--O 1.218 -0.584 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.911 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 1' ' ' ILE . . . . . 0.568 HD13 HD11 ' S' ' 7' ' ' ILE . 86.9 mt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -111.29 123.08 49.49 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -116.28 125.4 73.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -118.03 129.83 55.81 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 5' ' ' LEU . . . . . 0.49 HD23 ' N ' ' G' ' 6' ' ' GLN . 1.5 tt -115.27 116.8 28.91 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 6' ' ' GLN . . . . . 0.49 ' N ' HD23 ' G' ' 5' ' ' LEU . 50.6 tt0 -137.7 119.42 15.11 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.458 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 7' ' ' ILE . . . . . 0.417 HD11 ' HB ' ' I' ' 7' ' ' ILE . 1.9 pt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 1' ' ' ILE . . . . . 0.508 HG21 HD13 ' W' ' 7' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.258 0.551 . . . . 0.0 109.826 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -114.4 123.43 49.44 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.978 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 98.2 t -117.72 121.89 68.51 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -118.6 130.92 56.15 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.306 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 5' ' ' LEU . . . . . 0.445 HD11 HD11 ' W' ' 5' ' ' LEU . 43.5 mt -114.38 112.72 23.5 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.835 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -129.46 104.85 7.71 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-O 121.587 0.708 . . . . 0.0 109.638 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 7' ' ' ILE . . . . . 0.838 ' O ' HD12 ' I' ' 7' ' ' ILE . 1.3 pp . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.903 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 1' ' ' ILE . . . . . 0.669 HD13 HD11 ' W' ' 7' ' ' ILE . 89.6 mt . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -107.84 123.88 49.25 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 57.9 t -115.71 125.46 72.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -117.97 129.89 55.87 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 5' ' ' LEU . . . . . 0.467 HD23 ' N ' ' K' ' 6' ' ' GLN . 1.5 tt -114.61 115.5 27.26 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 6' ' ' GLN . . . . . 0.467 ' N ' HD23 ' K' ' 5' ' ' LEU . 50.5 tt0 -138.01 119.64 15.05 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.205 0.526 . . . . 0.0 110.343 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 pt . . . . . 0 C--O 1.222 -0.393 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.601 -179.337 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.534 0.683 . . . . 0.0 109.834 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -113.75 123.45 49.88 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 3' ' ' VAL . . . . . 0.408 HG11 HD13 ' A' ' 5' ' ' LEU . 67.0 t -117.23 122.11 69.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.5 131.3 56.25 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 120.558 0.218 . . . . 0.0 110.62 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 5' ' ' LEU . . . . . 0.539 HD13 HG11 ' A' ' 3' ' ' VAL . 58.0 mt -116.3 110.2 18.41 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -125.17 106.15 9.68 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 7' ' ' ILE . . . . . 0.817 ' O ' HD12 ' O' ' 7' ' ' ILE . 1.6 pp . . . . . 0 N--CA 1.47 0.554 0 CA-C-O 117.93 -1.033 . . . . 0.0 111.195 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 1' ' ' ILE . . . . . 0.474 HD13 HD11 ' A' ' 7' ' ' ILE . 85.7 mt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -111.78 122.99 49.29 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 60.9 t -116.7 125.44 73.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -118.16 130.3 56.02 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Q' Q ' 5' ' ' LEU . . . . . 0.49 HD23 ' N ' ' Q' ' 6' ' ' GLN . 1.5 tt -116.59 115.84 26.47 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 6' ' ' GLN . . . . . 0.49 ' N ' HD23 ' Q' ' 5' ' ' LEU . 51.0 tt0 -136.08 120.88 18.53 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.165 0.507 . . . . 0.0 110.539 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 N--CA 1.471 0.589 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.722 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' S' S ' 1' ' ' ILE . . . . . 0.561 HG21 HD13 ' E' ' 7' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 121.537 0.684 . . . . 0.0 109.949 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -114.54 123.4 49.29 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.936 177.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 79.9 t -117.47 121.86 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.56 131.12 56.21 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.903 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . 0.474 HD11 HD11 ' E' ' 5' ' ' LEU . 45.2 mt -115.34 112.7 22.77 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.637 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -128.87 105.4 8.2 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.56 0.695 . . . . 0.0 109.23 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 7' ' ' ILE . . . . . 0.827 ' O ' HD12 ' S' ' 7' ' ' ILE . 1.3 pp . . . . . 0 C--O 1.218 -0.589 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.88 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' U' U ' 1' ' ' ILE . . . . . 0.626 HD13 HD11 ' E' ' 7' ' ' ILE . 84.4 mt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -110.99 123.29 49.9 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -116.33 125.44 73.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -117.88 130.0 55.98 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' U' U ' 5' ' ' LEU . . . . . 0.49 HD23 ' N ' ' U' ' 6' ' ' GLN . 1.4 tt -115.82 116.0 27.25 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' U' U ' 6' ' ' GLN . . . . . 0.49 ' N ' HD23 ' U' ' 5' ' ' LEU . 50.5 tt0 -137.24 119.64 15.83 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.131 0.491 . . . . 0.0 110.456 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 N--CA 1.469 0.498 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.79 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' W' W ' 1' ' ' ILE . . . . . 0.562 HG21 HD13 ' I' ' 7' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.255 0.55 . . . . 0.0 109.816 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -114.39 123.57 49.8 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.248 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 97.4 t -117.53 121.94 68.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 177.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -118.44 131.02 56.28 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.147 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 5' ' ' LEU . . . . . 0.445 HD11 HD11 ' I' ' 5' ' ' LEU . 43.9 mt -114.73 111.99 22.13 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.665 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -129.11 104.58 7.64 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 121.653 0.739 . . . . 0.0 109.382 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 7' ' ' ILE . . . . . 0.841 ' O ' HD12 ' W' ' 7' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.218 -0.561 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.473 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 1' ' ' ILE . . . . . 0.595 HD13 HD11 ' I' ' 7' ' ' ILE . 90.1 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -107.76 123.78 49.05 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -115.96 125.46 73.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -117.85 130.09 56.05 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 5' ' ' LEU . . . . . 0.46 HD23 ' N ' ' Y' ' 6' ' ' GLN . 1.5 tt -114.56 116.16 28.34 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Y' Y ' 6' ' ' GLN . . . . . 0.46 ' N ' HD23 ' Y' ' 5' ' ' LEU . 50.6 tt0 -138.58 119.52 14.35 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.278 0.561 . . . . 0.0 110.326 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 pt . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.478 -179.34 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -113.9 123.2 49.19 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.586 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -117.83 120.89 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -120.33 134.46 55.26 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.24 118.9 9.78 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.283 0.563 . . . . 0.0 109.978 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -108.75 112.11 24.23 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.547 ' HB ' HG22 ' C' ' 7' ' ' ILE . 14.5 mm . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.974 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -111.57 123.57 50.5 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -116.08 124.49 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -119.83 130.62 54.99 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' E' ' 5' ' ' LEU . 0.3 OUTLIER -144.54 125.38 14.29 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.744 178.294 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -116.33 113.78 23.42 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.708 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.547 HG22 ' HB ' ' A' ' 7' ' ' ILE . 28.2 pt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.46 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 98.0 mt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -114.34 123.23 48.99 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.016 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 59.2 t -118.16 120.53 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 120.27 -0.572 . . . . 0.0 109.6 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.63 132.85 55.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 5' ' ' LEU . . . . . 0.437 ' HB3' HD11 ' C' ' 5' ' ' LEU . 0.3 OUTLIER -142.32 121.6 13.08 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.517 0.675 . . . . 0.0 111.016 177.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -110.59 114.35 27.69 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.224 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 7' ' ' ILE . . . . . 0.524 ' HB ' HG22 ' G' ' 7' ' ' ILE . 11.6 mm . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.138 -0.934 . . . . 0.0 109.965 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -110.96 123.76 50.8 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -115.96 124.45 72.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -119.73 130.37 54.96 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 5' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' I' ' 5' ' ' LEU . 0.3 OUTLIER -144.99 126.67 15.2 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-O 121.544 0.688 . . . . 0.0 110.92 178.258 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -117.41 114.25 23.25 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.888 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 7' ' ' ILE . . . . . 0.524 HG22 ' HB ' ' E' ' 7' ' ' ILE . 27.5 pt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.602 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 97.6 mt . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -114.21 123.31 49.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.339 -0.391 . . . . 0.0 109.98 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -118.03 120.29 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.72 131.66 54.65 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 5' ' ' LEU . . . . . 0.483 ' HB3' HD11 ' G' ' 5' ' ' LEU . 0.3 OUTLIER -141.21 122.03 14.42 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.345 0.593 . . . . 0.0 111.072 178.073 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -110.51 114.81 28.53 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.445 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 10.9 mm . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.103 -179.903 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 88.1 mt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -107.79 124.21 49.72 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 69.0 t -115.55 124.77 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -119.47 130.81 55.42 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.0 129.34 17.79 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.04 0.448 . . . . 0.0 110.869 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -121.15 115.87 23.89 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.7 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 32.9 pt . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.244 -179.83 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 97.4 mt . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -113.89 123.3 49.43 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.56 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 62.1 t -117.77 120.91 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 120.369 -0.532 . . . . 0.0 109.71 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -120.41 134.37 55.28 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.34 119.61 10.2 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.34 0.591 . . . . 0.0 110.045 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -108.97 112.23 24.32 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 7' ' ' ILE . . . . . 0.536 ' HB ' HG22 ' Q' ' 7' ' ' ILE . 14.9 mm . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.014 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 93.4 mt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -111.98 123.5 50.39 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -116.13 124.34 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -119.85 130.61 54.96 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.2 126.2 15.42 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.572 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -116.88 114.1 23.4 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.62 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Q' Q ' 7' ' ' ILE . . . . . 0.536 HG22 ' HB ' ' O' ' 7' ' ' ILE . 26.6 pt . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.417 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 98.0 mt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -114.56 123.4 49.27 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.111 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -118.09 120.44 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.53 176.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.7 132.22 54.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.62 122.34 14.32 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.481 0.658 . . . . 0.0 110.848 178.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -111.14 114.26 27.38 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.192 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 7' ' ' ILE . . . . . 0.533 ' HB ' HG22 ' U' ' 7' ' ' ILE . 11.5 mm . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.936 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 91.9 mt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -111.28 123.87 51.08 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 58.4 t -116.03 124.36 72.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -119.71 130.28 54.93 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' U' U ' 5' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' W' ' 5' ' ' LEU . 0.3 OUTLIER -144.75 126.74 15.48 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.79 178.38 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -117.54 114.09 22.93 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.931 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' U' U ' 7' ' ' ILE . . . . . 0.533 HG22 ' HB ' ' S' ' 7' ' ' ILE . 26.7 pt . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.6 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 97.8 mt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -114.26 123.24 49.06 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.178 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -118.05 119.95 63.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 176.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -120.65 131.36 54.56 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 5' ' ' LEU . . . . . 0.478 ' HB3' HD11 ' U' ' 5' ' ' LEU . 0.3 OUTLIER -140.82 122.18 14.94 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.406 0.622 . . . . 0.0 111.139 178.326 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -110.89 114.89 28.57 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.459 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 mm . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.037 -179.835 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -107.87 124.15 49.66 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 68.6 t -115.63 124.74 72.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -119.37 130.94 55.59 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.27 128.88 17.11 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.052 0.453 . . . . 0.0 110.962 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -120.68 115.65 23.77 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.703 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 31.9 pt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.27 -179.803 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 97.9 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -113.4 122.11 46.37 Favored 'General case' 0 N--CA 1.436 -1.153 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.538 HG11 HD13 ' O' ' 5' ' ' LEU . 57.6 t -118.86 123.02 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -117.9 131.19 56.56 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 120.837 0.351 . . . . 0.0 111.946 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.668 HD11 HD11 ' O' ' 5' ' ' LEU . 64.9 mt -121.18 110.98 16.84 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -117.76 116.7 27.54 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.107 -178.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 85.1 mt . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.93 123.24 49.76 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 78.8 t -116.06 125.45 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -118.35 129.65 55.55 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.574 HD21 HD11 ' C' ' 7' ' ' ILE . 46.2 tp -125.98 122.98 37.49 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.756 0.312 . . . . 0.0 110.185 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -130.68 119.26 22.14 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.574 HD11 HD21 ' C' ' 5' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.887 -1.054 . . . . 0.0 109.442 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.492 1.673 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -113.4 122.06 46.22 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.545 HG11 HD13 ' S' ' 5' ' ' LEU . 61.0 t -119.01 122.57 69.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -118.38 130.72 56.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 118.148 0.431 . . . . 0.0 111.799 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 5' ' ' LEU . . . . . 0.788 HD11 HD11 ' S' ' 5' ' ' LEU . 51.6 mt -120.5 110.58 16.64 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -117.8 117.49 29.46 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.017 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 83.5 mt . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -110.32 123.4 49.76 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 66.1 t -115.82 125.48 72.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -118.16 129.72 55.68 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 5' ' ' LEU . . . . . 0.562 HD21 HD11 ' G' ' 7' ' ' ILE . 43.3 tp -126.36 122.62 35.9 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.801 0.334 . . . . 0.0 110.458 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -129.99 118.14 21.14 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.603 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 7' ' ' ILE . . . . . 0.562 HD11 HD21 ' G' ' 5' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.514 -179.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.493 1.708 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.81 122.24 46.46 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.536 HG11 HD13 ' W' ' 5' ' ' LEU . 60.2 t -118.85 122.28 68.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.45 130.72 56.12 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 118.339 0.518 . . . . 0.0 111.931 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 5' ' ' LEU . . . . . 0.84 HD11 HD11 ' W' ' 5' ' ' LEU . 46.2 mt -120.78 109.51 15.25 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.544 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -116.92 117.01 28.53 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 7' ' ' ILE . . . . . 0.402 HD13 HG21 ' I' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.139 -178.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 82.8 mt . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -107.7 123.77 49.01 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 72.4 t -115.6 125.8 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -117.87 129.96 55.96 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 121.199 -0.2 . . . . 0.0 110.462 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 5' ' ' LEU . . . . . 0.423 HD21 HD11 ' K' ' 7' ' ' ILE . 41.2 tp -126.66 123.09 36.76 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 120.771 0.32 . . . . 0.0 110.649 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -130.91 116.8 18.36 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 7' ' ' ILE . . . . . 0.423 HD11 HD21 ' K' ' 5' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.557 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 98.1 mt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -113.65 122.1 46.14 Favored 'General case' 0 N--CA 1.436 -1.136 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 3' ' ' VAL . . . . . 0.54 HG11 HD13 ' A' ' 5' ' ' LEU . 56.9 t -118.81 122.94 70.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -117.81 131.22 56.6 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 120.901 0.382 . . . . 0.0 111.927 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 5' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 5' ' ' LEU . 64.6 mt -121.26 111.18 17.05 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -117.84 116.72 27.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 7' ' ' ILE . . . . . 0.41 HD13 HG21 ' O' ' 7' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.118 -178.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 85.5 mt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -110.96 123.23 49.76 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 82.2 t -116.06 125.58 73.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -118.37 129.77 55.62 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 5' ' ' LEU . . . . . 0.586 HD21 HD11 ' Q' ' 7' ' ' ILE . 46.5 tp -126.18 123.12 37.52 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 178.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -130.96 119.29 21.88 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Q' Q ' 7' ' ' ILE . . . . . 0.586 HD11 HD21 ' Q' ' 5' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.422 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -113.68 122.14 46.24 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 3' ' ' VAL . . . . . 0.54 HG11 HD13 ' E' ' 5' ' ' LEU . 61.2 t -119.11 122.46 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.33 130.7 56.17 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 118.098 0.408 . . . . 0.0 111.733 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . 0.788 HD11 HD11 ' E' ' 5' ' ' LEU . 52.4 mt -120.57 110.4 16.4 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.539 179.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -117.63 117.52 29.6 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.918 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 84.0 mt . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -110.52 123.47 50.0 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 70.8 t -115.95 125.49 73.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -118.17 129.63 55.63 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' U' U ' 5' ' ' LEU . . . . . 0.574 HD21 HD11 ' U' ' 7' ' ' ILE . 42.3 tp -126.39 122.63 35.89 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.815 0.34 . . . . 0.0 110.389 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -129.92 118.33 21.5 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' U' U ' 7' ' ' ILE . . . . . 0.574 HD11 HD21 ' U' ' 5' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.603 -179.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.493 1.703 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -113.62 122.49 47.35 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 3' ' ' VAL . . . . . 0.512 HG11 HD13 ' I' ' 5' ' ' LEU . 61.1 t -118.9 122.32 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -118.42 130.51 56.01 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 118.276 0.489 . . . . 0.0 111.622 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 5' ' ' LEU . . . . . 0.84 HD11 HD11 ' I' ' 5' ' ' LEU . 48.7 mt -120.83 109.87 15.66 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -117.3 117.2 28.87 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.108 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -107.88 123.84 49.21 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 69.3 t -115.7 125.77 72.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -118.05 130.02 55.91 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.369 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 5' ' ' LEU . . . . . 0.442 HD21 HD11 ' Y' ' 7' ' ' ILE . 41.5 tp -126.29 122.99 37.07 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.757 0.313 . . . . 0.0 110.698 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -130.98 116.22 17.54 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 7' ' ' ILE . . . . . 0.442 HD11 HD21 ' Y' ' 5' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.553 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -114.15 122.09 45.75 Favored 'General case' 0 N--CA 1.436 -1.141 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 3' ' ' VAL . 27.3 m -119.03 122.5 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.88 130.76 55.91 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 120.771 0.319 . . . . 0.0 111.847 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.602 HD11 HD11 ' O' ' 5' ' ' LEU . 87.4 mt -126.94 116.67 21.15 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -120.03 112.24 18.9 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.1 mm . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.389 -178.899 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -112.31 123.03 49.37 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.532 HG22 HG12 ' E' ' 3' ' ' VAL . 1.9 m -116.44 125.34 73.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 176.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -118.81 129.64 55.34 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.43 HD22 HG21 ' Q' ' 3' ' ' VAL . 4.9 mp -133.38 122.12 23.31 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.095 0.474 . . . . 0.0 110.481 178.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -120.73 115.33 23.11 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 mm . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.402 -179.03 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -114.18 122.41 46.73 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.532 HG12 HG22 ' C' ' 3' ' ' VAL . 33.4 m -119.3 121.85 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.999 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.27 130.29 55.34 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.796 0.331 . . . . 0.0 111.765 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 5' ' ' LEU . . . . . 0.656 HD11 HD11 ' S' ' 5' ' ' LEU . 87.8 mt -126.49 119.08 26.29 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.199 178.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -122.47 113.11 18.88 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 mm . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.365 -179.082 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 89.3 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -111.75 123.4 50.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 120.016 -0.674 . . . . 0.0 109.228 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.447 HG22 HG12 ' I' ' 3' ' ' VAL . 1.9 m -116.22 125.37 73.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 176.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -118.77 129.4 55.23 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 5' ' ' LEU . . . . . 0.422 HD13 ' CD2' ' I' ' 5' ' ' LEU . 5.0 mp -133.09 121.72 23.07 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.812 0.339 . . . . 0.0 110.32 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -120.21 114.5 22.01 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 26.4 mm . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.546 -179.022 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -113.97 122.23 46.32 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.447 HG12 HG22 ' G' ' 3' ' ' VAL . 32.8 m -119.18 121.49 66.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.442 0 C-N-CA 120.269 -0.572 . . . . 0.0 109.904 176.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.51 130.26 55.11 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 120.82 0.343 . . . . 0.0 111.896 178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 5' ' ' LEU . . . . . 0.632 HD11 HD11 ' W' ' 5' ' ' LEU . 86.1 mt -125.8 120.16 29.83 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -122.92 112.53 17.95 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 19.3 mm . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.305 -179.016 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 86.9 mt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.08 124.22 51.1 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.422 ' O ' HG23 ' K' ' 3' ' ' VAL . 2.4 m -115.62 125.24 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 177.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -119.11 129.67 55.17 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.234 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.86 122.57 23.39 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -121.15 112.55 18.81 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 mm . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.555 -178.789 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 121.247 0.546 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.98 122.13 46.0 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 3' ' ' VAL . . . . . 0.466 HG23 ' O ' ' O' ' 3' ' ' VAL . 28.3 m -119.06 122.33 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 177.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -118.89 130.88 55.97 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 120.824 0.345 . . . . 0.0 111.801 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 5' ' ' LEU . . . . . 0.602 HD11 HD11 ' A' ' 5' ' ' LEU . 87.6 mt -127.15 116.85 21.29 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 178.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -120.17 112.22 18.82 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 22.0 mm . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.372 -178.884 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 93.7 mt . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -112.57 123.06 49.45 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 3' ' ' VAL . . . . . 0.509 HG22 HG12 ' S' ' 3' ' ' VAL . 2.0 m -116.54 125.34 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 176.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -118.79 129.5 55.27 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 5' ' ' LEU . . . . . 0.417 HD13 ' CD2' ' S' ' 5' ' ' LEU . 4.9 mp -133.07 122.18 23.76 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.07 0.462 . . . . 0.0 110.462 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -120.81 115.39 23.19 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 25.3 mm . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.503 -178.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -114.45 122.43 46.58 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 3' ' ' VAL . . . . . 0.509 HG12 HG22 ' Q' ' 3' ' ' VAL . 33.9 m -119.21 121.88 67.74 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 C-N-CA 120.443 -0.503 . . . . 0.0 109.983 176.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.29 130.25 55.3 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . 0.656 HD11 HD11 ' E' ' 5' ' ' LEU . 87.5 mt -126.49 118.77 25.6 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -122.07 113.06 19.01 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 19.8 mm . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.357 -179.125 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 88.9 mt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -111.59 123.45 50.24 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 120.011 -0.675 . . . . 0.0 109.363 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' U' U ' 3' ' ' VAL . . . . . 0.458 HG22 HG12 ' W' ' 3' ' ' VAL . 2.0 m -116.2 125.27 73.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 176.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -118.74 129.45 55.26 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 mp -132.88 122.07 23.84 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.939 0.4 . . . . 0.0 110.428 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -120.62 114.2 21.36 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 26.2 mm . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.504 -178.902 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -113.88 122.54 47.33 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 3' ' ' VAL . . . . . 0.458 HG12 HG22 ' U' ' 3' ' ' VAL . 32.6 m -118.95 121.32 66.56 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.031 176.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.21 130.15 55.34 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 120.72 0.295 . . . . 0.0 111.744 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 5' ' ' LEU . . . . . 0.632 HD11 HD11 ' I' ' 5' ' ' LEU . 86.1 mt -125.92 120.11 29.54 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -122.78 112.6 18.1 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 18.6 mm . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.397 -179.04 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 85.4 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -109.61 124.22 50.78 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 3' ' ' VAL . . . . . 0.441 HG23 ' O ' ' Y' ' 3' ' ' VAL . 2.5 m -115.47 125.23 72.62 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -119.09 129.73 55.22 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.275 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -134.02 122.59 23.23 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -121.24 112.85 19.13 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.434 -178.87 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 84.5 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.95 122.34 46.66 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.617 HG11 HD21 ' O' ' 5' ' ' LEU . 61.2 t -118.81 123.02 70.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.473 ' C ' HD12 ' A' ' 5' ' ' LEU . 3.0 t60 -117.94 130.95 56.53 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 120.895 0.379 . . . . 0.0 111.107 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.601 HD21 HG11 ' O' ' 3' ' ' VAL . 9.3 mp -112.35 110.13 20.17 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.607 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -126.68 108.33 10.99 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.3 pt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.88 -178.62 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . 0.446 ' CD1' HD12 ' Q' ' 7' ' ' ILE . 84.5 mt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -111.5 123.44 50.22 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.529 HG11 HD21 ' Q' ' 5' ' ' LEU . 61.2 t -116.23 125.72 73.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' HIS . . . . . 0.493 ' C ' HD12 ' C' ' 5' ' ' LEU . 26.8 m170 -118.21 130.03 55.84 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.458 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.57 HD21 HG11 ' Q' ' 3' ' ' VAL . 10.1 mp -114.11 120.81 41.81 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -139.09 110.11 6.81 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.593 HD11 HD13 ' S' ' 1' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.473 0.692 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.404 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 1' ' ' ILE . . . . . 0.592 HD13 HD11 ' Q' ' 7' ' ' ILE . 85.2 mt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -113.8 122.49 47.21 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.604 HG11 HD21 ' S' ' 5' ' ' LEU . 58.0 t -119.16 122.84 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 176.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 4' ' ' HIS . . . . . 0.467 ' C ' HD12 ' E' ' 5' ' ' LEU . 3.3 t60 -117.8 131.05 56.62 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.313 178.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 5' ' ' LEU . . . . . 0.578 HD21 HG11 ' S' ' 3' ' ' VAL . 9.3 mp -112.01 111.52 22.49 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.365 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -128.88 108.11 10.17 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 40.5 pt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.754 -178.493 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 1' ' ' ILE . . . . . 0.423 HG21 HD11 ' S' ' 7' ' ' ILE . 89.2 mt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -110.93 123.76 50.79 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.48 HG11 HD21 ' U' ' 5' ' ' LEU . 62.0 t -116.0 125.77 73.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 4' ' ' HIS . . . . . 0.489 ' C ' HD12 ' G' ' 5' ' ' LEU . 27.7 m170 -118.17 130.06 55.88 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.5 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 5' ' ' LEU . . . . . 0.498 HD21 HG11 ' U' ' 3' ' ' VAL . 10.3 mp -113.53 120.84 42.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.725 0.297 . . . . 0.0 110.274 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -139.53 109.35 6.33 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.673 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 7' ' ' ILE . . . . . 0.593 HD11 HD13 ' W' ' 1' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.618 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.549 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 1' ' ' ILE . . . . . 0.601 HD13 HD11 ' U' ' 7' ' ' ILE . 84.9 mt . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -113.67 122.8 48.27 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 120.499 -0.48 . . . . 0.0 109.8 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.521 HG11 HD21 ' W' ' 5' ' ' LEU . 61.8 t -119.11 122.95 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 176.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 4' ' ' HIS . . . . . 0.478 ' C ' HD12 ' I' ' 5' ' ' LEU . 3.4 t60 -118.0 131.13 56.51 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.299 178.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 5' ' ' LEU . . . . . 0.539 HD21 HG11 ' W' ' 3' ' ' VAL . 9.5 mp -111.89 111.14 21.88 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.593 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -129.02 107.33 9.52 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 7' ' ' ILE . . . . . 0.421 HD11 HG21 ' Y' ' 1' ' ' ILE . 36.5 pt . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.574 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 1' ' ' ILE . . . . . 0.445 HG21 HD11 ' W' ' 7' ' ' ILE . 93.6 mt . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -109.85 124.12 50.76 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -115.45 125.67 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 4' ' ' HIS . . . . . 0.495 ' C ' HD12 ' K' ' 5' ' ' LEU . 28.8 m170 -117.97 130.05 55.97 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.604 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' K' K ' 5' ' ' LEU . . . . . 0.495 HD12 ' C ' ' K' ' 4' ' ' HIS . 10.3 mp -112.19 122.21 47.11 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.817 0.341 . . . . 0.0 110.459 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -142.48 109.36 5.47 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 pt . . . . . 0 C--O 1.219 -0.551 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.39 -179.031 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -113.83 122.4 46.94 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' O' O ' 3' ' ' VAL . . . . . 0.601 HG11 HD21 ' A' ' 5' ' ' LEU . 60.3 t -118.82 122.98 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 177.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' O' O ' 4' ' ' HIS . . . . . 0.458 ' C ' HD12 ' O' ' 5' ' ' LEU . 2.9 t60 -117.81 130.95 56.59 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 120.878 0.37 . . . . 0.0 111.172 178.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' O' O ' 5' ' ' LEU . . . . . 0.617 HD21 HG11 ' A' ' 3' ' ' VAL . 9.2 mp -112.58 108.58 17.72 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.807 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -124.94 108.41 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 50.7 pt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.882 -178.636 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' Q' Q ' 1' ' ' ILE . . . . . 0.453 ' CD1' HD12 ' C' ' 7' ' ' ILE . 87.1 mt . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -111.35 123.4 50.14 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 3' ' ' VAL . . . . . 0.57 HG11 HD21 ' C' ' 5' ' ' LEU . 58.0 t -116.15 125.64 73.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 177.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 4' ' ' HIS . . . . . 0.492 ' C ' HD12 ' Q' ' 5' ' ' LEU . 27.0 m170 -118.26 130.15 55.88 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.399 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 5' ' ' LEU . . . . . 0.529 HD21 HG11 ' C' ' 3' ' ' VAL . 10.0 mp -113.99 120.9 42.23 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -139.01 109.8 6.69 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.034 0.445 . . . . 0.0 109.842 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Q' Q ' 7' ' ' ILE . . . . . 0.592 HD11 HD13 ' E' ' 1' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 117.915 -1.04 . . . . 0.0 110.436 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 1' ' ' ILE . . . . . 0.593 HD13 HD11 ' C' ' 7' ' ' ILE . 87.1 mt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -113.58 122.5 47.43 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 3' ' ' VAL . . . . . 0.578 HG11 HD21 ' E' ' 5' ' ' LEU . 57.6 t -119.06 122.75 70.05 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 4' ' ' HIS . . . . . 0.461 ' C ' HD12 ' S' ' 5' ' ' LEU . 3.2 t60 -117.95 131.12 56.54 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.36 178.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . 0.604 HD21 HG11 ' E' ' 3' ' ' VAL . 9.2 mp -111.75 112.22 23.74 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.205 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -129.08 107.51 9.64 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 7' ' ' ILE . . . . . 0.423 HD11 HG21 ' G' ' 1' ' ' ILE . 38.9 pt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.949 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' U' U ' 1' ' ' ILE . . . . . 0.405 HD12 HD12 ' G' ' 7' ' ' ILE . 89.5 mt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -110.74 123.79 50.73 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' U' U ' 3' ' ' VAL . . . . . 0.498 HG11 HD21 ' G' ' 5' ' ' LEU . 61.4 t -116.14 125.73 73.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' U' U ' 4' ' ' HIS . . . . . 0.498 ' C ' HD12 ' U' ' 5' ' ' LEU . 27.5 m170 -118.07 130.22 56.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.562 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' U' U ' 5' ' ' LEU . . . . . 0.498 HD12 ' C ' ' U' ' 4' ' ' HIS . 10.2 mp -113.54 121.46 44.3 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 120.728 0.299 . . . . 0.0 110.398 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -140.1 110.3 6.56 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.874 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' U' U ' 7' ' ' ILE . . . . . 0.601 HD11 HD13 ' I' ' 1' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.475 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 1' ' ' ILE . . . . . 0.593 HD13 HD11 ' G' ' 7' ' ' ILE . 83.9 mt . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -113.57 122.71 48.04 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.945 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 3' ' ' VAL . . . . . 0.539 HG11 HD21 ' I' ' 5' ' ' LEU . 62.7 t -118.91 123.05 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 176.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 4' ' ' HIS . . . . . 0.481 ' C ' HD12 ' W' ' 5' ' ' LEU . 3.1 t60 -117.95 130.84 56.45 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.308 178.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 5' ' ' LEU . . . . . 0.521 HD21 HG11 ' I' ' 3' ' ' VAL . 9.6 mp -111.74 111.61 22.71 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.762 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -129.59 107.81 9.74 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 7' ' ' ILE . . . . . 0.445 HD11 HG21 ' K' ' 1' ' ' ILE . 39.1 pt . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.754 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 1' ' ' ILE . . . . . 0.421 HG21 HD11 ' I' ' 7' ' ' ILE . 92.4 mt . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -109.74 124.07 50.62 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -115.61 125.81 72.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 4' ' ' HIS . . . . . 0.495 ' C ' HD12 ' Y' ' 5' ' ' LEU . 27.8 m170 -118.01 130.39 56.15 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.507 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Y' Y ' 5' ' ' LEU . . . . . 0.495 HD12 ' C ' ' Y' ' 4' ' ' HIS . 10.4 mp -112.4 122.23 47.11 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 120.746 0.308 . . . . 0.0 110.318 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -142.51 109.91 5.69 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 pt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.337 -179.038 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.457 HD12 ' CG2' ' O' ' 7' ' ' ILE . 97.2 mt . . . . . 0 N--CA 1.494 1.727 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -113.02 122.77 48.6 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.413 HG11 ' CD1' ' O' ' 5' ' ' LEU . 61.0 t -118.64 122.83 70.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.458 178.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.26 131.49 56.35 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 120.546 0.212 . . . . 0.0 111.529 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.433 HD11 HD11 ' O' ' 5' ' ' LEU . 24.7 mt -129.94 127.52 40.25 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.845 0.355 . . . . 0.0 110.777 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -130.41 106.58 8.64 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.48 -0.934 . . . . 0.0 108.48 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.436 ' CG2' HD12 ' O' ' 1' ' ' ILE . 54.7 mt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.817 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -111.15 122.91 49.08 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.555 HG12 HD11 ' C' ' 5' ' ' LEU . 18.3 t -116.53 125.75 73.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -118.27 129.1 55.27 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.555 HD11 HG12 ' C' ' 3' ' ' VAL . 2.7 mp -132.74 121.21 22.72 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.098 0.475 . . . . 0.0 111.99 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -122.19 106.99 11.64 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.185 177.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.754 HD13 ' H ' ' C' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.559 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 1' ' ' ILE . . . . . 0.476 HD12 ' CG2' ' S' ' 7' ' ' ILE . 96.3 mt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -112.47 122.96 49.19 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -118.9 122.43 69.34 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.466 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.54 131.13 56.23 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 120.594 0.235 . . . . 0.0 111.609 178.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 19.5 mt -129.97 125.48 35.49 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.611 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -129.29 104.92 7.79 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 7' ' ' ILE . . . . . 0.47 ' CG2' HD12 ' S' ' 1' ' ' ILE . 51.2 mt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.892 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 77.9 mt . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -110.21 122.79 48.48 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.531 HG12 HD11 ' G' ' 5' ' ' LEU . 19.1 t -116.33 125.69 73.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -117.94 128.89 55.24 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 5' ' ' LEU . . . . . 0.531 HD11 HG12 ' G' ' 3' ' ' VAL . 2.8 mp -132.23 121.18 23.24 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.176 0.512 . . . . 0.0 111.931 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -122.48 105.69 10.37 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.388 177.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 7' ' ' ILE . . . . . 0.743 ' H ' HD13 ' G' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.694 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 1' ' ' ILE . . . . . 0.406 HD12 ' CG2' ' W' ' 7' ' ' ILE . 96.6 mt . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -111.1 122.85 48.94 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 59.4 t -118.53 122.15 68.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.364 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 4' ' ' HIS . . . . . 0.416 ' O ' HD12 ' G' ' 5' ' ' LEU . 3.5 t60 -118.43 131.14 56.28 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 178.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 5' ' ' LEU . . . . . 0.433 HD11 HD11 ' W' ' 5' ' ' LEU . 18.9 mt -130.92 123.28 28.57 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.664 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -127.24 104.22 7.83 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 7' ' ' ILE . . . . . 0.451 HG12 HD11 ' G' ' 7' ' ' ILE . 48.1 mt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.024 -0.988 . . . . 0.0 109.988 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 84.1 mt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -107.26 123.49 48.39 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.466 HG12 HD11 ' K' ' 5' ' ' LEU . 21.8 t -116.18 125.79 73.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -117.83 129.34 55.6 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' K' K ' 5' ' ' LEU . . . . . 0.466 HD11 HG12 ' K' ' 3' ' ' VAL . 2.7 mp -131.75 126.29 34.09 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.757 0.313 . . . . 0.0 111.295 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -127.82 104.58 7.91 Favored 'General case' 0 CA--C 1.516 -0.327 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' K' K ' 7' ' ' ILE . . . . . 0.7 HD13 ' H ' ' K' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 118.11 -0.948 . . . . 0.0 110.522 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' O' O ' 1' ' ' ILE . . . . . 0.436 HD12 ' CG2' ' A' ' 7' ' ' ILE . 97.4 mt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -113.08 122.83 48.75 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' O' O ' 3' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 5' ' ' LEU . 61.6 t -118.62 122.75 70.22 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.45 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.28 131.58 56.34 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 120.608 0.242 . . . . 0.0 111.542 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' O' O ' 5' ' ' LEU . . . . . 0.433 HD11 HD11 ' A' ' 5' ' ' LEU . 26.9 mt -129.94 128.45 42.15 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.88 0.372 . . . . 0.0 110.78 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -131.57 106.63 8.31 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' O' O ' 7' ' ' ILE . . . . . 0.457 ' CG2' HD12 ' A' ' 1' ' ' ILE . 55.0 mt . . . . . 0 C--O 1.218 -0.578 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.89 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 81.2 mt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -111.44 122.85 48.93 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 3' ' ' VAL . . . . . 0.569 HG12 HD11 ' Q' ' 5' ' ' LEU . 18.3 t -116.76 125.57 73.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -118.35 129.1 55.24 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 5' ' ' LEU . . . . . 0.569 HD11 HG12 ' Q' ' 3' ' ' VAL . 2.6 mp -132.81 119.96 20.95 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 121.112 0.482 . . . . 0.0 112.068 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -120.7 106.93 12.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.103 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Q' Q ' 7' ' ' ILE . . . . . 0.75 ' H ' HD13 ' Q' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.538 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 1' ' ' ILE . . . . . 0.47 HD12 ' CG2' ' E' ' 7' ' ' ILE . 96.4 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -112.96 122.9 49.03 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 60.7 t -118.53 122.4 69.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.644 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -118.52 131.16 56.24 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 120.676 0.274 . . . . 0.0 111.404 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 19.8 mt -129.68 126.39 38.2 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.587 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -130.12 104.93 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 177.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 7' ' ' ILE . . . . . 0.476 ' CG2' HD12 ' E' ' 1' ' ' ILE . 47.1 mt . . . . . 0 N--CA 1.469 0.517 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.835 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 78.2 mt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -110.39 123.11 49.25 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' U' U ' 3' ' ' VAL . . . . . 0.533 HG12 HD11 ' U' ' 5' ' ' LEU . 19.9 t -116.71 125.74 73.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -117.96 128.81 55.15 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' U' U ' 5' ' ' LEU . . . . . 0.533 HD11 HG12 ' U' ' 3' ' ' VAL . 2.7 mp -132.11 121.34 23.63 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 121.095 0.474 . . . . 0.0 111.734 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -122.6 105.45 10.11 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.259 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' U' U ' 7' ' ' ILE . . . . . 0.736 HD13 ' H ' ' U' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.678 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 1' ' ' ILE . . . . . 0.436 HD12 ' CG2' ' I' ' 7' ' ' ILE . 96.4 mt . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -111.01 123.18 49.68 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -118.57 122.41 69.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.39 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 4' ' ' HIS . . . . . 0.414 ' O ' HD12 ' U' ' 5' ' ' LEU . 3.2 t60 -118.3 130.92 56.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 120.537 0.208 . . . . 0.0 111.314 178.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 5' ' ' LEU . . . . . 0.433 HD11 HD11 ' I' ' 5' ' ' LEU . 18.5 mt -130.68 122.74 27.89 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.603 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -126.97 103.98 7.76 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 7' ' ' ILE . . . . . 0.5 HG12 HD11 ' U' ' 7' ' ' ILE . 51.7 mt . . . . . 0 N--CA 1.469 0.521 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.129 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -107.22 123.44 48.29 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 3' ' ' VAL . . . . . 0.471 HG12 HD11 ' Y' ' 5' ' ' LEU . 21.9 t -116.18 125.8 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -117.69 129.47 55.74 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 5' ' ' LEU . . . . . 0.471 HD11 HG12 ' Y' ' 3' ' ' VAL . 2.7 mp -131.79 127.43 36.67 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.805 0.336 . . . . 0.0 111.09 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -128.96 104.57 7.67 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 7' ' ' ILE . . . . . 0.699 HD13 ' H ' ' Y' ' 7' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.458 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.634 HD13 ' N ' ' A' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.322 0.582 . . . . 0.0 109.524 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.634 ' N ' HD13 ' A' ' 1' ' ' ILE . 5.3 t-160 -114.33 122.16 45.83 Favored 'General case' 0 N--CA 1.434 -1.245 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.552 HG11 HD13 ' O' ' 5' ' ' LEU . 56.2 t -118.11 121.66 67.78 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.66 131.42 56.17 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 120.68 0.276 . . . . 0.0 111.182 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.638 HD11 HD11 ' O' ' 5' ' ' LEU . 64.7 mt -119.52 114.84 22.89 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -124.99 108.58 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 7' ' ' ILE . 3.4 mt . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 117.895 -1.05 . . . . 0.0 110.337 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . 0.424 HG12 HG22 ' A' ' 1' ' ' ILE . 91.0 mt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -112.15 123.67 50.76 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 120.189 -0.604 . . . . 0.0 109.438 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 65.5 t -116.22 124.84 72.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -119.16 129.67 55.13 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 50.6 tp -122.3 123.44 41.42 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.793 0.33 . . . . 0.0 110.534 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -135.0 113.63 11.67 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.429 HG13 HG23 ' E' ' 7' ' ' ILE . 41.7 pt . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.489 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 1' ' ' ILE . . . . . 0.716 HD13 ' N ' ' E' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 2' ' ' HIS . . . . . 0.716 ' N ' HD13 ' E' ' 1' ' ' ILE . 6.4 t-160 -114.54 122.82 47.73 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 178.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.601 HG11 HD13 ' S' ' 5' ' ' LEU . 61.6 t -118.16 121.51 67.4 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.448 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 177.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -118.97 130.83 55.9 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.045 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 5' ' ' LEU . . . . . 0.61 HD11 HD11 ' S' ' 5' ' ' LEU . 55.4 mt -119.18 115.51 24.37 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.33 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -126.63 108.68 11.33 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 7' ' ' ILE . . . . . 0.459 HD13 HG21 ' S' ' 1' ' ' ILE . 4.5 mt . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.24 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 1' ' ' ILE . . . . . 0.493 HG23 ' CG2' ' E' ' 1' ' ' ILE . 92.1 mt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -111.47 123.65 50.66 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.733 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 66.0 t -116.22 124.69 72.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -119.02 129.51 55.17 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 55.1 tp -122.02 121.9 38.08 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 120.945 0.403 . . . . 0.0 110.473 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -133.71 112.5 11.44 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.467 178.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 46.2 pt . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.577 -179.565 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' I' I ' 1' ' ' ILE . . . . . 0.717 HD13 ' N ' ' I' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 2' ' ' HIS . . . . . 0.717 ' N ' HD13 ' I' ' 1' ' ' ILE . 7.1 t-160 -114.1 122.96 48.45 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.296 -0.562 . . . . 0.0 109.52 178.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.537 HG11 HD13 ' W' ' 5' ' ' LEU . 58.5 t -118.02 121.44 67.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -118.89 130.32 55.67 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.23 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 5' ' ' LEU . . . . . 0.576 HD11 HD11 ' W' ' 5' ' ' LEU . 50.4 mt -118.47 114.81 23.43 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.641 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -125.9 107.94 10.96 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 7' ' ' ILE . . . . . 0.401 HD13 HG21 ' W' ' 1' ' ' ILE . 5.5 mt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.24 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 1' ' ' ILE . . . . . 0.419 HG23 ' CG2' ' I' ' 1' ' ' ILE . 93.5 mt . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -108.52 123.87 49.56 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.472 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 66.0 t -115.77 124.93 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -118.88 129.52 55.24 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 tp -121.96 121.84 37.99 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 120.789 0.328 . . . . 0.0 110.359 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -135.11 111.38 9.68 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 pt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.458 -179.223 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' O' O ' 1' ' ' ILE . . . . . 0.628 HD13 ' N ' ' O' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.389 0.614 . . . . 0.0 109.599 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' O' O ' 2' ' ' HIS . . . . . 0.628 ' N ' HD13 ' O' ' 1' ' ' ILE . 5.3 t-160 -114.15 122.25 46.24 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' O' O ' 3' ' ' VAL . . . . . 0.587 HG11 HD13 ' A' ' 5' ' ' LEU . 56.2 t -118.17 121.94 68.42 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.77 131.53 56.12 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.624 0.249 . . . . 0.0 111.212 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' O' O ' 5' ' ' LEU . . . . . 0.638 HD11 HD11 ' A' ' 5' ' ' LEU . 64.1 mt -119.61 115.43 23.97 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -125.81 107.96 11.01 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' O' O ' 7' ' ' ILE . . . . . 0.413 HD13 HG21 ' O' ' 7' ' ' ILE . 3.2 mt . . . . . 0 N--CA 1.47 0.548 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.237 -178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 1' ' ' ILE . . . . . 0.419 HG23 ' CG2' ' O' ' 1' ' ' ILE . 91.2 mt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -112.11 123.96 51.39 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.504 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 70.6 t -116.15 124.95 72.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -119.2 129.47 54.99 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 51.9 tp -122.06 123.16 40.95 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 120.725 0.298 . . . . 0.0 110.52 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -134.8 113.19 11.36 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Q' Q ' 7' ' ' ILE . . . . . 0.474 HG13 HG23 ' S' ' 7' ' ' ILE . 43.4 pt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.417 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 1' ' ' ILE . . . . . 0.688 HD13 ' N ' ' S' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 2' ' ' HIS . . . . . 0.688 ' N ' HD13 ' S' ' 1' ' ' ILE . 6.5 t-160 -114.16 122.9 48.23 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 3' ' ' VAL . . . . . 0.545 HG11 HD13 ' E' ' 5' ' ' LEU . 60.6 t -118.25 121.52 67.38 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -119.05 130.7 55.76 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.16 177.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . 0.61 HD11 HD11 ' E' ' 5' ' ' LEU . 55.2 mt -118.95 116.05 25.64 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.358 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -127.28 108.06 10.54 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 7' ' ' ILE . . . . . 0.474 HG23 HG13 ' Q' ' 7' ' ' ILE . 4.1 mt . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.235 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' U' U ' 1' ' ' ILE . . . . . 0.493 HG23 ' CG2' ' S' ' 1' ' ' ILE . 93.0 mt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -110.93 123.69 50.64 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 120.211 -0.596 . . . . 0.0 109.82 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 67.0 t -116.18 124.59 72.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -118.84 129.29 55.14 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 55.2 tp -121.85 121.64 37.62 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 120.877 0.37 . . . . 0.0 110.691 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -133.43 112.49 11.62 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.622 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' U' U ' 7' ' ' ILE . . . . . 0.431 HG13 HG23 ' W' ' 7' ' ' ILE . 46.5 pt . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.674 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 1' ' ' ILE . . . . . 0.71 HD13 ' N ' ' W' ' 2' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 2' ' ' HIS . . . . . 0.71 ' N ' HD13 ' W' ' 1' ' ' ILE . 8.5 t-160 -113.78 123.09 49.0 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 3' ' ' VAL . . . . . 0.54 HG11 HD13 ' I' ' 5' ' ' LEU . 57.4 t -118.0 121.43 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -118.66 130.21 55.73 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.079 177.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 5' ' ' LEU . . . . . 0.576 HD11 HD11 ' I' ' 5' ' ' LEU . 50.4 mt -118.7 113.78 21.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -125.23 107.92 11.22 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 7' ' ' ILE . . . . . 0.431 HG23 HG13 ' U' ' 7' ' ' ILE . 4.0 mt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.287 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 89.9 mt . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -108.29 123.88 49.48 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.545 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 70.1 t -115.83 124.84 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -118.9 129.66 55.31 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 tp -121.94 120.96 35.97 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 120.75 0.31 . . . . 0.0 110.522 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -134.28 111.17 10.01 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 47.5 pt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.536 -179.179 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.409 HD12 HG21 ' O' ' 7' ' ' ILE . 86.9 mt . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 121.577 0.703 . . . . 0.0 109.886 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -113.97 122.98 48.6 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.339 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.5 t -117.73 121.9 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.78 131.81 56.12 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.665 ' C ' HD13 ' A' ' 5' ' ' LEU . 1.9 tm? -126.53 121.69 33.01 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.462 ' N ' HD22 ' A' ' 5' ' ' LEU . 51.6 tt0 -135.81 119.08 16.67 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.426 HG21 HD13 ' A' ' 7' ' ' ILE . 14.2 mt . . . . . 0 N--CA 1.469 0.513 0 CA-C-O 117.719 -1.134 . . . . 0.0 109.618 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -111.75 124.16 51.75 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.474 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 84.0 t -115.7 125.13 72.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -118.41 129.03 55.18 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.596 HD11 HD11 ' Q' ' 5' ' ' LEU . 13.5 mt -126.52 118.28 24.58 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.483 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -131.01 111.06 11.69 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.891 -1.052 . . . . 0.0 109.848 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.121 0.486 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -113.69 122.67 47.84 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.232 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 82.7 t -117.67 121.08 66.62 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -118.97 130.95 55.97 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 5' ' ' LEU . . . . . 0.653 HD13 ' C ' ' E' ' 5' ' ' LEU . 2.0 tm? -124.45 119.85 30.36 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.64 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 6' ' ' GLN . . . . . 0.452 ' N ' HD22 ' E' ' 5' ' ' LEU . 51.5 tt0 -133.08 119.49 20.06 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 177.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 7' ' ' ILE . . . . . 0.476 HD12 HG21 ' U' ' 1' ' ' ILE . 7.5 mt . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.765 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -110.84 124.11 51.41 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 94.2 t -115.8 125.11 72.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -117.88 128.83 55.21 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 5' ' ' LEU . . . . . 0.583 HD11 HD11 ' U' ' 5' ' ' LEU . 17.2 mt -125.47 119.4 28.13 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.593 -178.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -132.08 111.68 11.69 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.93 -1.034 . . . . 0.0 110.159 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -113.51 122.79 48.33 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 97.5 t -117.42 120.74 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.851 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -119.04 130.53 55.68 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 5' ' ' LEU . . . . . 0.667 ' C ' HD13 ' I' ' 5' ' ' LEU . 1.9 tm? -123.37 118.44 27.49 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.78 179.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 6' ' ' GLN . . . . . 0.424 ' N ' HD22 ' I' ' 5' ' ' LEU . 51.4 tt0 -131.06 120.03 22.84 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 7' ' ' ILE . . . . . 0.428 HD12 HG21 ' Y' ' 1' ' ' ILE . 9.1 mt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.759 -1.115 . . . . 0.0 109.837 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 1' ' ' ILE . . . . . 0.518 HG21 HD12 ' W' ' 7' ' ' ILE . 96.5 mt . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -107.71 124.14 49.57 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 84.5 t -115.84 125.95 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -117.38 129.1 55.64 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 5' ' ' LEU . . . . . 0.442 HD11 HD11 ' Y' ' 5' ' ' LEU . 35.3 mt -123.38 121.9 36.94 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 -178.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -135.62 110.11 8.53 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.415 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' O' O ' 1' ' ' ILE . . . . . 0.425 HD12 HG21 ' A' ' 7' ' ' ILE . 89.8 mt . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 121.435 0.636 . . . . 0.0 109.771 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.86 122.98 48.67 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.365 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 70.3 t -117.72 121.69 68.04 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.668 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 177.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.85 131.76 56.09 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' O' O ' 5' ' ' LEU . . . . . 0.674 HD13 ' C ' ' O' ' 5' ' ' LEU . 1.9 tm? -126.17 121.91 34.14 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' O' O ' 6' ' ' GLN . . . . . 0.457 ' N ' HD22 ' O' ' 5' ' ' LEU . 51.8 tt0 -136.0 119.42 16.87 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 177.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' O' O ' 7' ' ' ILE . . . . . 0.43 HD13 HG21 ' O' ' 7' ' ' ILE . 14.2 mt . . . . . 0 N--CA 1.47 0.529 0 CA-C-O 117.82 -1.086 . . . . 0.0 109.57 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 95.8 mt . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -111.37 124.3 51.97 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.449 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 93.5 t -115.82 125.27 72.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -118.35 128.95 55.14 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 5' ' ' LEU . . . . . 0.596 HD11 HD11 ' C' ' 5' ' ' LEU . 13.1 mt -126.29 118.5 25.23 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.413 -178.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -131.05 110.3 11.11 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.913 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 88.5 mt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -113.56 122.87 48.53 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 81.7 t -117.77 121.02 66.43 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -119.08 130.94 55.86 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . 0.67 ' C ' HD13 ' S' ' 5' ' ' LEU . 1.9 tm? -124.11 119.74 30.33 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.622 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 6' ' ' GLN . . . . . 0.453 ' N ' HD22 ' S' ' 5' ' ' LEU . 51.7 tt0 -133.12 119.46 19.97 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 7' ' ' ILE . . . . . 0.407 HD13 HG21 ' S' ' 7' ' ' ILE . 10.2 mt . . . . . 0 C--O 1.218 -0.571 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.671 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' U' U ' 1' ' ' ILE . . . . . 0.476 HG21 HD12 ' E' ' 7' ' ' ILE . 95.9 mt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -110.91 124.18 51.59 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 90.4 t -115.83 125.38 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -117.88 128.86 55.23 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' U' U ' 5' ' ' LEU . . . . . 0.583 HD11 HD11 ' G' ' 5' ' ' LEU . 16.5 mt -125.46 119.05 27.17 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.353 -178.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -131.72 110.41 10.86 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.912 -1.042 . . . . 0.0 110.189 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -113.4 122.88 48.69 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 80.4 t -117.72 120.86 65.99 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.731 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -118.84 130.63 55.86 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 5' ' ' LEU . . . . . 0.667 ' C ' HD13 ' W' ' 5' ' ' LEU . 1.9 tm? -123.49 118.81 28.24 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 6' ' ' GLN . . . . . 0.436 ' N ' HD22 ' W' ' 5' ' ' LEU . 51.6 tt0 -131.91 119.16 20.76 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 7' ' ' ILE . . . . . 0.518 HD12 HG21 ' K' ' 1' ' ' ILE . 9.9 mt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.752 -1.118 . . . . 0.0 109.773 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 1' ' ' ILE . . . . . 0.428 HG21 HD12 ' I' ' 7' ' ' ILE . 96.5 mt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -107.76 123.91 49.25 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 87.1 t -115.81 126.08 73.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -117.16 129.29 55.86 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 5' ' ' LEU . . . . . 0.442 HD11 HD11 ' K' ' 5' ' ' LEU . 34.5 mt -123.52 121.52 35.87 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -135.42 109.2 8.06 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.326 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 96.0 mt . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -114.34 122.49 46.86 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.606 HG11 HD13 ' O' ' 5' ' ' LEU . 45.7 t -118.29 122.12 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.196 178.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.51 131.52 55.58 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.873 HD11 HD11 ' O' ' 5' ' ' LEU . 75.2 mt -121.92 112.46 18.33 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -123.12 105.5 9.98 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 mm . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.542 -179.47 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 121.355 0.598 . . . . 0.0 109.88 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -110.42 123.39 49.79 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -115.33 125.07 72.46 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.469 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -118.73 129.19 55.13 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.573 HD11 HD11 ' C' ' 7' ' ' ILE . 53.0 tp -123.32 123.7 41.31 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 121.246 -0.182 . . . . 0.0 110.857 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -132.81 105.57 7.22 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.573 HD11 HD11 ' C' ' 5' ' ' LEU . 46.6 mm . . . . . 0 C--O 1.218 -0.585 0 CA-C-O 117.62 -1.181 . . . . 0.0 110.545 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -113.36 122.63 47.95 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.553 HG11 HD13 ' S' ' 5' ' ' LEU . 49.2 t -118.56 121.19 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 C-N-CA 120.488 -0.485 . . . . 0.0 109.904 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -119.37 130.75 55.49 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.673 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 5' ' ' LEU . . . . . 0.914 HD11 HD11 ' S' ' 5' ' ' LEU . 64.2 mt -121.11 111.55 17.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.35 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -121.68 108.14 13.19 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 8.6 mm . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.578 -179.473 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 1' ' ' ILE . . . . . 0.44 HD13 HD12 ' U' ' 7' ' ' ILE . 1.6 tt . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 121.161 0.505 . . . . 0.0 109.89 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -110.26 123.99 50.81 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 176.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -115.68 124.79 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.376 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -118.49 129.4 55.35 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 5' ' ' LEU . . . . . 0.605 HD11 HD11 ' G' ' 7' ' ' ILE . 52.9 tp -124.06 123.12 39.65 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.447 0.165 . . . . 0.0 111.173 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -132.1 104.7 6.94 Favored 'General case' 0 CA--C 1.523 -0.088 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 7' ' ' ILE . . . . . 0.605 HD11 HD11 ' G' ' 5' ' ' LEU . 45.4 mm . . . . . 0 C--O 1.218 -0.587 0 CA-C-O 117.676 -1.154 . . . . 0.0 110.66 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -113.34 123.1 49.31 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.579 HG11 HD13 ' W' ' 5' ' ' LEU . 60.5 t -118.72 121.22 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.135 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.39 130.21 55.2 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.654 -0.419 . . . . 0.0 112.057 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 5' ' ' LEU . . . . . 0.989 HD11 HD11 ' W' ' 5' ' ' LEU . 55.9 mt -120.29 110.52 16.66 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.4 0.438 . . . . 0.0 110.48 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -120.81 106.84 12.05 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 8.5 mm . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.661 -179.27 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' K' K ' 1' ' ' ILE . . . . . 0.517 HD13 HD12 ' Y' ' 7' ' ' ILE . 1.9 tt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -108.75 124.61 50.85 Favored 'General case' 0 N--CA 1.462 0.126 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 56.0 t -115.22 125.41 72.49 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.26 129.67 55.61 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' K' K ' 5' ' ' LEU . . . . . 0.618 HD11 HD11 ' K' ' 7' ' ' ILE . 46.9 tp -124.82 122.41 37.34 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.507 0.194 . . . . 0.0 110.769 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -132.72 104.9 6.86 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' K' K ' 7' ' ' ILE . . . . . 0.618 HD11 HD11 ' K' ' 5' ' ' LEU . 43.6 mm . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 117.761 -1.114 . . . . 0.0 110.625 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -114.17 123.17 48.94 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' O' O ' 3' ' ' VAL . . . . . 0.63 HG11 HD13 ' A' ' 5' ' ' LEU . 46.7 t -118.9 121.89 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.137 177.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -119.11 131.7 55.93 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' O' O ' 5' ' ' LEU . . . . . 0.873 HD11 HD11 ' A' ' 5' ' ' LEU . 78.6 mt -121.6 112.01 17.93 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -122.74 105.58 10.18 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 mm . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.531 -179.703 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 121.189 0.518 . . . . 0.0 109.733 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -110.19 123.94 50.68 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -115.52 124.73 72.3 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.63 129.27 55.22 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 5' ' ' LEU . . . . . 0.591 HD11 HD11 ' Q' ' 7' ' ' ILE . 51.5 tp -123.58 123.09 39.82 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.468 0.175 . . . . 0.0 110.768 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -132.14 105.54 7.43 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Q' Q ' 7' ' ' ILE . . . . . 0.591 HD11 HD11 ' Q' ' 5' ' ' LEU . 45.5 mm . . . . . 0 C--O 1.218 -0.604 0 CA-C-O 117.716 -1.135 . . . . 0.0 110.471 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -113.93 122.61 47.5 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 3' ' ' VAL . . . . . 0.663 HG11 HD13 ' E' ' 5' ' ' LEU . 50.8 t -118.31 121.45 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.94 177.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.51 130.62 55.28 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . 0.914 HD11 HD11 ' E' ' 5' ' ' LEU . 69.0 mt -121.13 113.21 19.68 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.186 0.303 . . . . 0.0 110.234 179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -123.32 107.84 12.1 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 8.0 mm . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.67 -179.369 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' U' U ' 1' ' ' ILE . . . . . 0.483 HD13 HD12 ' G' ' 7' ' ' ILE . 1.5 tt . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 121.345 0.593 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -109.88 124.01 50.6 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -115.51 124.76 72.34 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.422 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -118.37 129.51 55.47 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' U' U ' 5' ' ' LEU . . . . . 0.615 HD11 HD11 ' U' ' 7' ' ' ILE . 51.4 tp -124.49 123.03 39.25 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 121.179 -0.209 . . . . 0.0 110.956 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -132.0 104.48 6.85 Favored 'General case' 0 C--N 1.334 -0.098 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' U' U ' 7' ' ' ILE . . . . . 0.615 HD11 HD11 ' U' ' 5' ' ' LEU . 45.1 mm . . . . . 0 C--O 1.218 -0.582 0 CA-C-O 117.804 -1.093 . . . . 0.0 110.679 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -112.06 122.79 48.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 3' ' ' VAL . . . . . 0.606 HG11 HD13 ' I' ' 5' ' ' LEU . 60.4 t -118.31 121.33 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.32 130.12 55.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 5' ' ' LEU . . . . . 0.989 HD11 HD11 ' I' ' 5' ' ' LEU . 60.7 mt -120.78 110.7 16.68 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.374 0.421 . . . . 0.0 110.507 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -120.88 107.48 12.75 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 8.9 mm . . . . . 0 C--O 1.218 -0.563 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.703 -179.424 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' Y' Y ' 1' ' ' ILE . . . . . 0.509 HD13 HD12 ' K' ' 7' ' ' ILE . 1.9 tt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -108.6 124.83 51.1 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.68 125.03 72.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -118.06 130.15 55.98 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 5' ' ' LEU . . . . . 0.595 HD11 HD11 ' Y' ' 7' ' ' ILE . 46.3 tp -124.67 121.74 35.54 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.433 0.159 . . . . 0.0 110.64 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -132.04 104.42 6.81 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 7' ' ' ILE . . . . . 0.595 HD11 HD11 ' Y' ' 5' ' ' LEU . 44.3 mm . . . . . 0 C--O 1.217 -0.607 0 CA-C-O 117.773 -1.108 . . . . 0.0 110.652 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 84.2 mt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -113.34 123.12 49.37 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.4 t -118.23 122.78 70.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -118.25 130.36 56.01 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 176.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mt -140.08 115.83 10.2 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.066 0.46 . . . . 0.0 110.947 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -114.77 106.49 14.26 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.6 pt . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.557 -179.351 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . 0.471 HD12 ' CG2' ' Q' ' 7' ' ' ILE . 97.0 mt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -110.56 124.4 51.77 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -115.66 125.62 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -117.99 128.64 54.99 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.427 HD11 HD11 ' Q' ' 5' ' ' LEU . 4.5 mt -136.74 126.81 26.09 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 120.791 0.329 . . . . 0.0 110.826 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -125.17 115.01 19.76 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.436 ' CG2' HD12 ' Q' ' 1' ' ' ILE . 4.5 mt . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.949 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 84.9 mt . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -112.58 123.46 50.34 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.07 122.46 69.72 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.35 129.91 55.7 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 6.2 mt -138.9 115.12 10.32 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.124 0.488 . . . . 0.0 111.088 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -113.78 107.24 15.47 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.039 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 25.7 pt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.706 -179.047 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 1' ' ' ILE . . . . . 0.432 HD12 ' CG2' ' U' ' 7' ' ' ILE . 97.3 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -110.1 124.57 51.74 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -115.4 125.49 72.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -118.17 128.5 54.78 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 5' ' ' LEU . . . . . 0.504 HD11 HD11 ' U' ' 5' ' ' LEU . 5.7 mt -136.26 127.25 27.74 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.742 0.306 . . . . 0.0 110.811 -178.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -125.58 113.5 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.096 -0.954 . . . . 0.0 109.981 -179.364 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 85.8 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -111.04 123.64 50.58 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 48.5 t -117.8 122.05 68.84 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.44 129.71 55.55 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 mt -138.39 114.95 10.52 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.232 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -113.24 105.55 13.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.323 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 20.3 pt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.108 -0.949 . . . . 0.0 110.652 -179.33 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -107.68 124.88 50.64 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 61.1 t -115.02 125.34 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.17 128.63 54.9 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' K' K ' 5' ' ' LEU . . . . . 0.46 HD11 HD11 ' Y' ' 5' ' ' LEU . 9.6 mt -136.62 126.63 26.02 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.447 0.165 . . . . 0.0 110.559 -178.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -125.01 111.11 15.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.02 -179.276 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 86.1 mt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -113.0 123.01 49.35 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 45.9 t -118.14 122.68 70.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -118.22 130.01 55.82 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mt -139.47 117.66 11.91 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.164 0.507 . . . . 0.0 111.082 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -116.25 106.23 13.45 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 pt . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.488 -179.444 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' Q' Q ' 1' ' ' ILE . . . . . 0.436 HD12 ' CG2' ' C' ' 7' ' ' ILE . 96.2 mt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -110.79 124.51 52.16 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -115.56 125.48 72.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -118.06 128.33 54.65 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 5' ' ' LEU . . . . . 0.427 HD11 HD11 ' C' ' 5' ' ' LEU . 5.2 mt -136.72 127.1 26.61 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 -178.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -125.69 114.72 19.03 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Q' Q ' 7' ' ' ILE . . . . . 0.471 ' CG2' HD12 ' C' ' 1' ' ' ILE . 4.4 mt . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.945 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 88.0 mt . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -112.15 123.33 50.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.07 122.33 69.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -118.33 129.8 55.65 Favored 'General case' 0 N--CA 1.433 -1.285 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 mt -138.42 115.8 11.18 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.143 0.497 . . . . 0.0 111.262 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -114.69 107.12 15.04 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.109 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 23.7 pt . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.681 -179.189 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -110.15 124.6 51.85 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.34 125.46 72.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.22 128.25 54.52 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' U' U ' 5' ' ' LEU . . . . . 0.504 HD11 HD11 ' G' ' 5' ' ' LEU . 6.6 mt -136.38 127.22 27.46 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.758 0.313 . . . . 0.0 110.895 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -125.86 113.43 17.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' U' U ' 7' ' ' ILE . . . . . 0.432 ' CG2' HD12 ' G' ' 1' ' ' ILE . 3.5 mt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.955 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 89.2 mt . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -110.77 123.48 50.16 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -117.7 122.02 68.82 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.39 129.56 55.48 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 mt -138.44 114.78 10.35 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.069 0.461 . . . . 0.0 111.202 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -113.43 105.8 13.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.429 178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' W' W ' 7' ' ' ILE . . . . . 0.421 ' OXT' ' O ' ' Y' ' 6' ' ' GLN . 19.3 pt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.738 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -107.69 124.88 50.65 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 61.6 t -115.09 125.21 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -118.21 128.84 55.08 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 5' ' ' LEU . . . . . 0.46 HD11 HD11 ' K' ' 5' ' ' LEU . 10.7 mt -136.77 127.13 26.56 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.785 -0.188 . . . . 0.0 110.603 -178.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Y' Y ' 6' ' ' GLN . . . . . 0.421 ' O ' ' OXT' ' W' ' 7' ' ' ILE . 50.8 tt0 -125.49 111.58 15.24 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.003 -179.259 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -112.85 123.13 49.61 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.3 t -118.42 122.66 70.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.79 177.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -117.97 130.44 56.2 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 120.532 0.206 . . . . 0.0 110.667 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.629 HD11 HD11 ' O' ' 5' ' ' LEU . 9.4 mt -128.21 123.58 34.6 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.032 -178.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -129.51 106.45 8.76 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.0 mt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.189 -179.332 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . 0.781 HD13 HG23 ' E' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -112.25 123.72 50.9 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.483 HG11 HD22 ' Q' ' 5' ' ' LEU . 86.2 t -115.73 125.71 72.99 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -117.69 128.6 55.06 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.688 HD21 HD11 ' C' ' 7' ' ' ILE . 41.5 tp -129.3 113.83 15.49 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.653 -179.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -121.13 113.65 20.32 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.688 HD11 HD21 ' C' ' 5' ' ' LEU . 17.6 mt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.879 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 1' ' ' ILE . . . . . 0.781 HG23 HD13 ' C' ' 1' ' ' ILE . 96.8 mt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -113.49 123.24 49.56 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 84.3 t -118.69 122.52 69.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.27 130.08 55.84 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.841 177.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 5' ' ' LEU . . . . . 0.503 HD11 HD11 ' S' ' 5' ' ' LEU . 7.4 mt -127.87 120.45 27.77 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -178.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -126.59 106.37 9.37 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 7' ' ' ILE . . . . . 0.502 HG12 HD12 ' C' ' 7' ' ' ILE . 80.9 mt . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.162 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 1' ' ' ILE . . . . . 0.819 HD13 HG23 ' I' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -112.0 123.76 50.95 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 108.345 -0.984 . . . . 0.0 108.345 176.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.531 HG11 HD22 ' U' ' 5' ' ' LEU . 89.1 t -115.67 125.73 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -117.84 128.58 54.98 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 5' ' ' LEU . . . . . 0.713 HD21 HD11 ' G' ' 7' ' ' ILE . 41.5 tp -128.99 113.97 15.83 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.729 0.299 . . . . 0.0 110.722 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -120.93 111.05 17.03 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 7' ' ' ILE . . . . . 0.713 HD11 HD21 ' G' ' 5' ' ' LEU . 21.3 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.945 -1.026 . . . . 0.0 109.911 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 1' ' ' ILE . . . . . 0.819 HG23 HD13 ' G' ' 1' ' ' ILE . 96.7 mt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -113.35 123.3 49.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 79.7 t -118.67 122.77 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.36 129.77 55.62 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 117.752 0.251 . . . . 0.0 111.338 177.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 5' ' ' LEU . . . . . 0.519 HD11 HD11 ' W' ' 5' ' ' LEU . 8.4 mt -127.36 119.06 25.37 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.291 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -125.28 106.38 9.81 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 7' ' ' ILE . . . . . 0.509 HG12 HD12 ' G' ' 7' ' ' ILE . 84.2 mt . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.192 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' K' K ' 1' ' ' ILE . . . . . 0.752 HD13 ' O ' ' K' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 108.939 -0.764 . . . . 0.0 108.939 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -110.84 123.76 50.73 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.48 HG11 HD22 ' Y' ' 5' ' ' LEU . 88.8 t -115.72 125.71 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.01 129.1 55.38 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' K' K ' 5' ' ' LEU . . . . . 0.615 HD21 HD11 ' K' ' 7' ' ' ILE . 42.0 tp -129.32 115.41 17.54 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.532 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -122.8 107.31 11.74 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' K' K ' 7' ' ' ILE . . . . . 0.615 HD11 HD21 ' K' ' 5' ' ' LEU . 45.0 mt . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.573 -178.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 97.1 mt . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -112.64 123.16 49.68 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 90.6 t -118.38 122.73 70.27 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -118.06 130.59 56.24 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 120.528 0.204 . . . . 0.0 110.745 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' O' O ' 5' ' ' LEU . . . . . 0.629 HD11 HD11 ' A' ' 5' ' ' LEU . 8.7 mt -128.43 123.28 33.34 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.917 -178.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -128.89 106.57 8.99 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 81.6 mt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.077 -179.338 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' Q' Q ' 1' ' ' ILE . . . . . 0.782 HD13 HG23 ' S' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -112.37 123.6 50.65 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 176.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 3' ' ' VAL . . . . . 0.483 HG11 HD22 ' C' ' 5' ' ' LEU . 85.7 t -115.64 125.79 72.94 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -117.98 128.56 54.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 5' ' ' LEU . . . . . 0.673 HD21 HD11 ' Q' ' 7' ' ' ILE . 38.6 tp -128.98 114.16 16.08 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.571 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -121.26 113.55 20.1 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Q' Q ' 7' ' ' ILE . . . . . 0.673 HD11 HD21 ' Q' ' 5' ' ' LEU . 17.7 mt . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.901 -178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 1' ' ' ILE . . . . . 0.782 HG23 HD13 ' Q' ' 1' ' ' ILE . 97.0 mt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -113.47 123.32 49.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 82.3 t -118.64 122.63 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -118.37 130.09 55.8 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 117.721 0.237 . . . . 0.0 110.892 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . 0.503 HD11 HD11 ' E' ' 5' ' ' LEU . 6.9 mt -128.21 120.87 28.11 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -126.92 106.66 9.46 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 7' ' ' ILE . . . . . 0.558 HG12 HD12 ' Q' ' 7' ' ' ILE . 79.2 mt . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.17 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' U' U ' 1' ' ' ILE . . . . . 0.801 HD13 HG23 ' W' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -112.03 123.73 50.89 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' U' U ' 3' ' ' VAL . . . . . 0.508 HG11 HD22 ' G' ' 5' ' ' LEU . 85.1 t -115.64 125.8 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -117.84 128.6 55.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' U' U ' 5' ' ' LEU . . . . . 0.707 HD21 HD11 ' U' ' 7' ' ' ILE . 40.7 tp -129.27 113.89 15.57 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.724 0.297 . . . . 0.0 110.73 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -120.82 111.14 17.18 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' U' U ' 7' ' ' ILE . . . . . 0.707 HD11 HD21 ' U' ' 5' ' ' LEU . 20.7 mt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.912 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' W' W ' 1' ' ' ILE . . . . . 0.801 HG23 HD13 ' U' ' 1' ' ' ILE . 97.0 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -113.41 123.69 50.67 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.32 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 82.3 t -118.54 122.64 69.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 176.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.23 129.52 55.53 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 117.777 0.262 . . . . 0.0 111.023 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' W' W ' 5' ' ' LEU . . . . . 0.519 HD11 HD11 ' I' ' 5' ' ' LEU . 8.4 mt -127.77 119.84 26.62 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.149 -178.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -126.08 106.71 9.78 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' W' W ' 7' ' ' ILE . . . . . 0.55 HG12 HD12 ' U' ' 7' ' ' ILE . 82.2 mt . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.313 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 1' ' ' ILE . . . . . 0.771 ' O ' HD13 ' Y' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -110.97 123.91 51.11 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 3' ' ' VAL . . . . . 0.423 HG11 HD22 ' K' ' 5' ' ' LEU . 89.7 t -115.57 125.85 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.272 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -118.11 129.18 55.39 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 5' ' ' LEU . . . . . 0.626 HD21 HD11 ' Y' ' 7' ' ' ILE . 41.6 tp -129.64 114.96 16.67 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.553 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -122.18 107.5 12.23 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 7' ' ' ILE . . . . . 0.626 HD11 HD21 ' Y' ' 5' ' ' LEU . 42.4 mt . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.792 -1.099 . . . . 0.0 109.497 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.0 tt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.633 0.73 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -113.94 122.8 48.08 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.643 HG11 HD13 ' O' ' 5' ' ' LEU . 59.2 t -118.12 122.21 69.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -118.55 131.08 56.22 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-O 120.723 0.297 . . . . 0.0 111.633 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.844 HD11 HD11 ' O' ' 5' ' ' LEU . 77.4 mt -127.02 122.97 35.95 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.02 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -126.88 108.07 10.66 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.8 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.111 -0.947 . . . . 0.0 109.693 -179.071 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 94.7 mt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -112.37 123.13 49.61 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.411 HG23 ' O ' ' C' ' 3' ' ' VAL . 34.6 m -116.48 125.43 73.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 177.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -118.85 129.33 55.16 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.59 116.97 18.08 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.975 0.417 . . . . 0.0 110.745 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -115.35 113.35 23.68 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 23.8 mm . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 118.154 -0.927 . . . . 0.0 109.816 -179.208 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 1' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.367 0.604 . . . . 0.0 109.896 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.94 123.21 49.2 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.745 HG11 HD13 ' S' ' 5' ' ' LEU . 62.6 t -117.75 121.08 66.58 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.218 178.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -119.4 130.13 55.15 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.701 178.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 5' ' ' LEU . . . . . 0.967 HD11 HD11 ' S' ' 5' ' ' LEU . 72.9 mt -126.48 123.29 37.48 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.856 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -127.32 108.57 10.97 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 7' ' ' ILE . . . . . . . . . . . . . 63.1 mt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.022 -178.859 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -111.72 123.55 50.47 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.419 ' O ' HG23 ' G' ' 3' ' ' VAL . 34.6 m -116.13 125.26 73.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -118.59 129.24 55.22 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.79 117.41 18.53 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.13 0.49 . . . . 0.0 111.177 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -115.97 111.14 19.94 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.487 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 7' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 C--O 1.218 -0.553 0 CA-C-O 118.174 -0.917 . . . . 0.0 109.945 -179.462 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' I' I ' 1' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -113.86 123.54 50.03 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.72 HG11 HD13 ' W' ' 5' ' ' LEU . 64.1 t -117.45 120.95 66.39 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.522 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.533 178.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -119.42 129.87 55.0 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.855 177.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 5' ' ' LEU . . . . . 0.997 HD11 HD11 ' W' ' 5' ' ' LEU . 68.1 mt -126.54 122.6 35.59 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.861 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -125.9 107.98 11.0 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 7' ' ' ILE . . . . . . . . . . . . . 62.2 mt . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.333 -178.898 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 93.4 mt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -108.88 124.59 50.88 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.448 ' O ' HG23 ' K' ' 3' ' ' VAL . 30.9 m -115.24 125.18 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -118.89 129.49 55.22 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.59 118.33 19.07 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -117.52 107.25 14.06 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 7' ' ' ILE . . . . . . . . . . . . . 27.3 mm . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.135 -0.936 . . . . 0.0 109.713 -179.392 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 2.2 tt . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.619 0.723 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -113.77 122.82 48.25 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' O' O ' 3' ' ' VAL . . . . . 0.683 HG11 HD13 ' A' ' 5' ' ' LEU . 61.3 t -118.03 122.22 69.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.242 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -118.6 131.15 56.19 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 120.725 0.298 . . . . 0.0 111.646 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' O' O ' 5' ' ' LEU . . . . . 0.844 HD11 HD11 ' A' ' 5' ' ' LEU . 77.1 mt -126.97 123.52 37.34 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.014 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -127.66 107.82 10.23 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.771 -179.047 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' Q' Q ' 1' ' ' ILE . . . . . . . . . . . . . 93.2 mt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -112.22 123.02 49.37 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 177.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 3' ' ' VAL . . . . . 0.434 HG23 ' O ' ' Q' ' 3' ' ' VAL . 34.2 m -116.44 125.47 73.47 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -118.78 129.44 55.24 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.79 116.72 17.62 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.087 0.47 . . . . 0.0 110.736 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -114.99 113.01 23.54 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.074 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Q' Q ' 7' ' ' ILE . . . . . . . . . . . . . 24.5 mm . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.758 -179.374 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' S' S ' 1' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.473 0.654 . . . . 0.0 109.822 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.99 123.51 49.88 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.447 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 3' ' ' VAL . . . . . 0.8 HG11 HD13 ' E' ' 5' ' ' LEU . 60.0 t -117.71 121.26 67.02 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.154 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -119.19 130.33 55.44 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.67 178.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . 0.967 HD11 HD11 ' E' ' 5' ' ' LEU . 75.0 mt -126.51 123.26 37.38 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.874 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -127.28 108.46 10.88 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 63.3 mt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.169 -178.78 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 92.0 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -111.76 123.54 50.46 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' U' U ' 3' ' ' VAL . . . . . 0.431 ' O ' HG23 ' U' ' 3' ' ' VAL . 34.7 m -116.17 125.34 73.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -118.47 129.33 55.32 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' U' U ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.79 117.34 18.44 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.049 0.452 . . . . 0.0 111.329 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -116.01 111.28 20.12 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.519 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' U' U ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 mm . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.134 -0.936 . . . . 0.0 109.911 -179.485 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' W' W ' 1' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.359 0.599 . . . . 0.0 109.714 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -113.8 123.73 50.53 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 177.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' W' W ' 3' ' ' VAL . . . . . 0.771 HG11 HD13 ' I' ' 5' ' ' LEU . 62.4 t -117.47 121.17 66.94 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.506 177.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -119.35 129.85 55.05 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.568 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' W' W ' 5' ' ' LEU . . . . . 0.997 HD11 HD11 ' I' ' 5' ' ' LEU . 72.2 mt -126.78 121.81 33.01 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.971 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -125.64 108.26 11.39 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' W' W ' 7' ' ' ILE . . . . . . . . . . . . . 62.4 mt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.358 -178.9 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 87.6 mt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -108.3 124.4 50.28 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 3' ' ' VAL . . . . . 0.451 HG23 ' O ' ' Y' ' 3' ' ' VAL . 31.7 m -115.24 125.12 72.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -118.9 129.94 55.46 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -133.06 118.23 18.51 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 120.861 0.362 . . . . 0.0 110.97 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -117.2 107.95 15.07 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 27.5 mm . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.144 -0.931 . . . . 0.0 109.737 -179.54 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.51 ' O ' HD12 ' C' ' 1' ' ' ILE . 72.3 mt . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -112.92 122.62 48.19 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 3' ' ' VAL . 34.2 m -118.5 122.82 70.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.043 178.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.75 130.92 56.07 Favored 'General case' 0 N--CA 1.436 -1.167 0 CA-C-N 116.807 -0.179 . . . . 0.0 110.552 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -124.18 123.81 41.1 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.786 0.327 . . . . 0.0 110.698 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -135.95 110.58 8.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.779 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.7 pt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.476 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . 0.957 HG21 HG21 ' Q' ' 7' ' ' ILE . 1.4 tp . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.269 0.557 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -111.21 124.27 51.88 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 38.5 t -114.48 124.74 71.43 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.714 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -119.1 128.69 54.54 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.438 HD11 HD11 ' Q' ' 5' ' ' LEU . 20.5 mt -128.31 123.02 32.97 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.671 -178.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -136.48 107.31 6.63 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.965 HG21 HG21 ' Q' ' 1' ' ' ILE . 19.5 mm . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.237 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 1' ' ' ILE . . . . . 0.79 HG23 HG23 ' C' ' 1' ' ' ILE . 60.1 mt . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -111.42 122.31 47.5 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.487 HG23 ' O ' ' E' ' 3' ' ' VAL . 31.1 m -119.05 122.6 69.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 177.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -118.68 130.44 55.84 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 116.797 -0.183 . . . . 0.0 110.773 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 tp -123.1 122.01 37.42 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.198 0.311 . . . . 0.0 111.308 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -134.24 113.34 11.88 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.969 178.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 7' ' ' ILE . . . . . 0.557 HD11 HD12 ' G' ' 7' ' ' ILE . 44.0 pt . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.755 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 1' ' ' ILE . . . . . 0.932 HG21 HG21 ' U' ' 7' ' ' ILE . 1.3 tp . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 121.078 0.466 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -110.05 124.25 51.14 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 175.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 36.8 t -114.57 124.61 71.39 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 4' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -118.97 128.63 54.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 5' ' ' LEU . . . . . 0.469 HD11 HD11 ' U' ' 5' ' ' LEU . 22.3 mt -127.66 122.55 33.32 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.533 -178.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -135.55 107.29 7.0 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 7' ' ' ILE . . . . . 0.928 HG21 HG21 ' U' ' 1' ' ' ILE . 19.3 mm . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.256 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 1' ' ' ILE . . . . . 0.655 HG23 HG23 ' G' ' 1' ' ' ILE . 61.8 mt . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -111.92 122.44 47.79 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.477 ' O ' HG23 ' I' ' 3' ' ' VAL . 32.6 m -119.19 122.53 69.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -118.6 130.59 55.96 Favored 'General case' 0 N--CA 1.436 -1.16 0 C-N-CA 121.167 -0.213 . . . . 0.0 110.841 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 5' ' ' LEU . . . . . . . . . . . . . 53.9 tp -122.81 121.22 35.74 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.762 0.315 . . . . 0.0 111.547 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -133.17 113.53 12.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.19 178.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 7' ' ' ILE . . . . . 0.56 HD11 HD12 ' K' ' 7' ' ' ILE . 43.0 pt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.833 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' K' K ' 1' ' ' ILE . . . . . 0.901 HG21 HG21 ' Y' ' 7' ' ' ILE . 1.2 tp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -107.93 124.68 50.49 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 175.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 30.0 t -114.05 124.73 70.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 C-N-CA 120.425 -0.51 . . . . 0.0 109.79 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' K' K ' 4' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -118.8 128.47 54.49 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' K' K ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 mt -126.53 122.6 35.61 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -136.56 106.49 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' K' K ' 7' ' ' ILE . . . . . 0.864 HG21 HG21 ' Y' ' 1' ' ' ILE . 18.0 mm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.18 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' O' O ' 1' ' ' ILE . . . . . 0.499 ' O ' HD12 ' Q' ' 1' ' ' ILE . 71.9 mt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -112.53 122.52 47.94 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' O' O ' 3' ' ' VAL . . . . . 0.508 HG23 ' O ' ' O' ' 3' ' ' VAL . 33.9 m -118.62 122.49 69.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -118.61 131.04 56.19 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 116.768 -0.197 . . . . 0.0 110.561 178.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 tp -124.18 124.14 41.82 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.752 0.31 . . . . 0.0 110.767 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -136.55 111.1 8.59 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' O' O ' 7' ' ' ILE . . . . . 0.439 HD11 HD12 ' Q' ' 7' ' ' ILE . 44.7 pt . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.451 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 1' ' ' ILE . . . . . 0.965 HG21 HG21 ' C' ' 7' ' ' ILE . 1.4 tp . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.438 0.637 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -110.76 124.51 52.13 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 3' ' ' VAL . . . . . . . . . . . . . 40.3 t -114.87 124.62 71.71 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 4' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -118.8 128.85 54.85 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 177.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 5' ' ' LEU . . . . . 0.438 HD11 HD11 ' C' ' 5' ' ' LEU . 18.0 mt -128.41 122.26 30.96 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.914 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -135.96 107.93 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Q' Q ' 7' ' ' ILE . . . . . 0.957 HG21 HG21 ' C' ' 1' ' ' ILE . 16.3 mm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.137 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 1' ' ' ILE . . . . . 0.583 HG23 HG23 ' Q' ' 1' ' ' ILE . 62.5 mt . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -112.05 122.61 48.23 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.01 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 3' ' ' VAL . . . . . 0.517 ' O ' HG23 ' S' ' 3' ' ' VAL . 31.3 m -118.96 122.59 69.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.16 177.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -118.71 130.48 55.85 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 121.131 -0.227 . . . . 0.0 110.765 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 55.7 tp -122.82 121.0 35.19 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.818 0.342 . . . . 0.0 111.161 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -133.29 113.07 12.2 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.842 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 7' ' ' ILE . . . . . 0.556 HD11 HD12 ' U' ' 7' ' ' ILE . 44.1 pt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.607 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' U' U ' 1' ' ' ILE . . . . . 0.928 HG21 HG21 ' G' ' 7' ' ' ILE . 1.2 tp . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 121.053 0.454 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -109.02 124.35 50.59 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' U' U ' 3' ' ' VAL . . . . . . . . . . . . . 38.6 t -114.8 124.5 71.52 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' U' U ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -118.6 128.77 54.86 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' U' U ' 5' ' ' LEU . . . . . 0.469 HD11 HD11 ' G' ' 5' ' ' LEU . 21.3 mt -127.89 121.18 29.36 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.818 -178.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -134.64 107.66 7.61 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' U' U ' 7' ' ' ILE . . . . . 0.932 HG21 HG21 ' G' ' 1' ' ' ILE . 17.5 mm . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.198 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' W' W ' 1' ' ' ILE . . . . . 0.518 HG23 HG23 ' U' ' 1' ' ' ILE . 62.8 mt . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -110.87 122.47 47.93 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.424 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' W' W ' 3' ' ' VAL . . . . . 0.496 HG23 ' O ' ' W' ' 3' ' ' VAL . 31.4 m -119.14 122.57 69.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.371 177.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -118.37 130.3 55.92 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.764 178.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' W' W ' 5' ' ' LEU . . . . . . . . . . . . . 54.5 tp -122.67 120.12 32.76 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.824 0.345 . . . . 0.0 111.384 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -132.11 113.19 13.03 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.118 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' W' W ' 7' ' ' ILE . . . . . 0.54 HD11 HD12 ' Y' ' 7' ' ' ILE . 43.3 pt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.801 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 1' ' ' ILE . . . . . 0.864 HG21 HG21 ' K' ' 7' ' ' ILE . 1.3 tp . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -107.6 124.46 49.97 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 3' ' ' VAL . . . . . . . . . . . . . 34.2 t -114.38 125.0 71.58 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.819 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 4' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -118.69 128.97 55.02 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 5' ' ' LEU . . . . . . . . . . . . . 37.6 mt -126.53 122.02 33.97 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.591 0.234 . . . . 0.0 110.465 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -136.17 106.94 6.59 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 7' ' ' ILE . . . . . 0.901 HG21 HG21 ' K' ' 1' ' ' ILE . 19.0 mm . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.218 -179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 92.4 mt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -114.09 122.4 46.75 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.2 t -119.03 121.79 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -119.26 131.17 55.74 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 120.545 0.212 . . . . 0.0 111.198 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.2 tp -116.89 120.63 39.07 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.67 107.14 9.2 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 pt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.735 -178.864 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . 0.477 HD12 HD12 ' Q' ' 7' ' ' ILE . 90.1 mt . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -111.64 123.23 49.81 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.457 HG12 HD21 ' C' ' 5' ' ' LEU . 62.3 t -116.2 124.42 72.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' HIS . . . . . 0.522 ' C ' HD22 ' C' ' 5' ' ' LEU . 23.5 m170 -119.14 129.35 54.98 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 178.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.721 ' N ' HD22 ' C' ' 5' ' ' LEU . 1.9 mm? -117.16 123.0 45.65 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -135.64 117.62 15.3 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.049 0.452 . . . . 0.0 109.923 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.623 HD11 HD13 ' S' ' 1' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 117.811 -1.09 . . . . 0.0 110.494 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 1' ' ' ILE . . . . . 0.636 HD13 HD11 ' Q' ' 7' ' ' ILE . 92.7 mt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 2' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -113.77 122.32 46.74 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 64.1 t -119.09 121.41 66.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.51 130.63 55.29 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.149 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 5' ' ' LEU . . . . . 0.4 HD11 ' CG2' ' E' ' 7' ' ' ILE . 60.8 tp -116.1 121.33 41.85 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -130.84 109.65 10.72 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 7' ' ' ILE . . . . . 0.4 ' CG2' HD11 ' E' ' 5' ' ' LEU . 32.2 pt . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.699 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 1' ' ' ILE . . . . . . . . . . . . . 90.5 mt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 2' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -111.32 123.35 50.04 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.439 HG12 HD21 ' G' ' 5' ' ' LEU . 61.3 t -116.18 124.51 72.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 4' ' ' HIS . . . . . 0.504 ' C ' HD22 ' G' ' 5' ' ' LEU . 25.0 m170 -119.05 129.09 54.92 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 5' ' ' LEU . . . . . 0.722 HD22 ' N ' ' G' ' 5' ' ' LEU . 1.9 mm? -116.66 121.92 43.07 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 178.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -135.62 115.51 13.09 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 7' ' ' ILE . . . . . 0.555 HD11 HD13 ' W' ' 1' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.667 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 1' ' ' ILE . . . . . 0.602 HD13 HD11 ' U' ' 7' ' ' ILE . 90.2 mt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 2' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -113.48 122.34 47.0 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 63.3 t -119.03 121.48 66.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 4' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -119.55 130.26 55.07 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.105 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 5' ' ' LEU . . . . . 0.435 HD11 ' CG2' ' I' ' 7' ' ' ILE . 58.7 tp -115.25 120.89 41.21 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.823 0.344 . . . . 0.0 110.578 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -130.82 110.46 11.33 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 7' ' ' ILE . . . . . 0.435 ' CG2' HD11 ' I' ' 5' ' ' LEU . 29.0 pt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.668 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 1' ' ' ILE . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' K' K ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -110.42 123.58 50.14 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.416 HG12 HD21 ' K' ' 5' ' ' LEU . 67.0 t -115.82 124.78 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' K' K ' 4' ' ' HIS . . . . . 0.505 ' C ' HD22 ' K' ' 5' ' ' LEU . 26.6 m170 -118.91 129.22 55.07 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.276 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' K' K ' 5' ' ' LEU . . . . . 0.755 ' N ' HD22 ' K' ' 5' ' ' LEU . 1.7 mm? -116.09 121.76 43.12 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 178.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' K' K ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -137.52 114.1 10.34 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 7' ' ' ILE . . . . . 0.403 HD13 HG21 ' K' ' 7' ' ' ILE . 2.0 pt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.391 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' O' O ' 1' ' ' ILE . . . . . . . . . . . . . 92.3 mt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' O' O ' 2' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -113.82 122.23 46.42 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' O' O ' 3' ' ' VAL . . . . . . . . . . . . . 66.3 t -118.93 121.72 67.57 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' O' O ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.1 131.15 55.9 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 120.469 0.176 . . . . 0.0 111.222 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' O' O ' 5' ' ' LEU . . . . . . . . . . . . . 62.9 tp -116.96 120.68 39.17 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' O' O ' 6' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -129.8 107.78 9.66 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' O' O ' 7' ' ' ILE . . . . . . . . . . . . . 47.4 pt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.669 -178.852 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' Q' Q ' 1' ' ' ILE . . . . . 0.464 HD12 HD12 ' C' ' 7' ' ' ILE . 88.5 mt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 2' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -111.78 123.21 49.75 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 3' ' ' VAL . . . . . 0.467 HG12 HD21 ' Q' ' 5' ' ' LEU . 60.3 t -116.08 124.36 72.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 4' ' ' HIS . . . . . 0.513 ' C ' HD22 ' Q' ' 5' ' ' LEU . 23.9 m170 -119.33 129.38 54.83 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 5' ' ' LEU . . . . . 0.725 HD22 ' N ' ' Q' ' 5' ' ' LEU . 1.9 mm? -117.14 123.22 46.2 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Q' Q ' 6' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -135.93 117.67 15.05 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.036 0.446 . . . . 0.0 109.929 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Q' Q ' 7' ' ' ILE . . . . . 0.636 HD11 HD13 ' E' ' 1' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 117.898 -1.048 . . . . 0.0 110.552 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 1' ' ' ILE . . . . . 0.623 HD13 HD11 ' C' ' 7' ' ' ILE . 94.0 mt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 2' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -113.73 122.44 47.13 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 3' ' ' VAL . . . . . . . . . . . . . 63.4 t -119.17 121.45 66.68 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.366 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 4' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -119.49 130.93 55.47 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.102 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 5' ' ' LEU . . . . . . . . . . . . . 60.5 tp -116.58 121.39 41.61 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -130.91 110.13 11.05 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 7' ' ' ILE . . . . . . . . . . . . . 32.7 pt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.717 -178.601 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' U' U ' 1' ' ' ILE . . . . . . . . . . . . . 90.4 mt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' U' U ' 2' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -111.37 123.24 49.82 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' U' U ' 3' ' ' VAL . . . . . 0.448 HG12 HD21 ' U' ' 5' ' ' LEU . 61.2 t -116.15 124.57 72.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 177.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' U' U ' 4' ' ' HIS . . . . . 0.504 ' C ' HD22 ' U' ' 5' ' ' LEU . 24.5 m170 -119.03 129.2 54.99 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' U' U ' 5' ' ' LEU . . . . . 0.716 ' N ' HD22 ' U' ' 5' ' ' LEU . 1.8 mm? -116.83 121.51 41.73 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' U' U ' 6' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -135.23 115.65 13.57 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' U' U ' 7' ' ' ILE . . . . . 0.602 HD11 HD13 ' I' ' 1' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.6 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 1' ' ' ILE . . . . . 0.555 HD13 HD11 ' G' ' 7' ' ' ILE . 93.7 mt . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 2' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -113.3 122.44 47.41 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 120.39 -0.524 . . . . 0.0 109.811 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.0 121.55 67.1 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 176.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 4' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -119.47 130.15 55.09 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.851 -0.339 . . . . 0.0 110.834 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 5' ' ' LEU . . . . . 0.432 HD11 ' CG2' ' W' ' 7' ' ' ILE . 58.3 tp -115.73 121.15 41.62 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.867 0.365 . . . . 0.0 110.652 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -131.15 111.21 11.76 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 7' ' ' ILE . . . . . 0.432 ' CG2' HD11 ' W' ' 5' ' ' LEU . 29.7 pt . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.696 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Y' Y ' 1' ' ' ILE . . . . . . . . . . . . . 91.8 mt . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' Y' Y ' 2' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -110.25 123.6 50.09 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Y' Y ' 3' ' ' VAL . . . . . 0.409 HG12 HD21 ' Y' ' 5' ' ' LEU . 66.9 t -115.97 124.7 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 4' ' ' HIS . . . . . 0.514 ' C ' HD22 ' Y' ' 5' ' ' LEU . 24.0 m170 -118.89 129.39 55.17 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.45 178.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 5' ' ' LEU . . . . . 0.757 HD22 ' N ' ' Y' ' 5' ' ' LEU . 1.7 mm? -115.97 121.36 42.03 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 6' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -136.97 114.01 10.6 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Y' Y ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.318 -179.024 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' I' I ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' K' K ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' O' O ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' Q' Q ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' S' S ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' U' U ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' W' W ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' Y' Y ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_