data_6wpv_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6wpv _Structure_validation_residue.Date_analyzed 2020-08-21 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' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.638 0 CA-C-O 120.297 -0.169 . . . . 0.0 112.946 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.2 p -111.58 -179.62 3.76 Favored 'General case' 0 N--CA 1.437 -1.075 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.5 t -79.96 -38.04 18.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.96 62.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.434 -178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.2 t -123.54 96.67 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.302 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -58.03 -36.73 73.13 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.801 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -76.07 -11.07 59.88 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.547 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.5 tp . . . . . 0 C--N 1.314 -0.951 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 -178.82 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.196 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.4 p -124.79 176.68 6.44 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.78 -24.35 6.83 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.0 -40.53 53.5 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.33 0.586 . . . . 0.0 109.479 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -130.02 106.94 13.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 174.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -58.14 -38.68 77.04 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.4 0.619 . . . . 0.0 110.595 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -58.94 -34.18 71.46 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.198 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.7 tp . . . . . 0 C--N 1.314 -0.976 0 CA-C-O 121.365 0.603 . . . . 0.0 110.787 -174.212 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.02 0 N-CA-C 111.791 -0.523 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.1 p -109.39 177.67 4.67 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.6 t -81.06 -30.7 11.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.79 -40.08 34.1 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.598 0.713 . . . . 0.0 110.219 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.0 t -129.34 102.52 7.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -68.73 -22.29 64.33 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 122.136 -0.352 . . . . 0.0 111.901 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -63.03 -33.68 75.96 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.191 172.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 tp . . . . . 0 C--N 1.314 -0.964 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.677 -176.481 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.749 0 CA-C-O 120.168 -0.24 . . . . 0.0 113.421 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.7 p -105.6 179.77 4.17 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.6 t -80.93 -31.05 11.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.47 -40.25 61.98 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.908 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.5 t -130.29 93.9 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -63.59 -28.96 70.28 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.253 0.549 . . . . 0.0 110.695 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -57.18 -36.96 71.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.744 173.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.9 tp . . . . . 0 C--N 1.316 -0.88 0 CA-C-O 121.184 0.516 . . . . 0.0 109.835 -177.701 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.84 0 N-CA-C 111.919 -0.473 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.0 p -106.14 -179.83 4.05 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -74.69 -40.27 47.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 120.908 0.385 . . . . 0.0 110.025 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.32 -34.23 48.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.061 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 t -129.36 95.25 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-O 121.164 0.507 . . . . 0.0 109.817 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -58.51 -31.78 68.2 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 123.597 0.759 . . . . 0.0 110.659 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -56.68 -36.35 69.51 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.073 174.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.7 tp . . . . . 0 C--N 1.31 -1.141 0 CA-C-O 121.46 0.648 . . . . 0.0 109.81 -177.526 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.801 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.0 p -135.16 174.2 10.88 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.5 t -78.74 -25.97 13.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.63 -40.02 17.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.005 0.431 . . . . 0.0 110.977 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.2 t -125.37 108.97 20.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.255 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -54.19 -47.92 71.55 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 123.688 0.795 . . . . 0.0 110.035 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -53.32 -36.58 61.43 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 124.794 1.238 . . . . 0.0 112.872 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.9 tp . . . . . 0 C--N 1.316 -0.86 0 CA-C-O 121.055 0.455 . . . . 0.0 111.296 -174.084 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.005 0 N-CA-C 114.12 0.408 . . . . 0.0 114.12 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.9 p -98.81 -176.36 3.32 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 117.229 0.514 . . . . 0.0 109.778 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.6 t -83.66 -31.25 8.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.18 -38.27 66.22 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.203 0.525 . . . . 0.0 110.418 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.5 t -136.67 100.64 2.21 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -66.51 -27.22 67.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.219 0.533 . . . . 0.0 111.157 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.61 -34.0 68.82 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 124.367 1.067 . . . . 0.0 110.502 172.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.6 tp . . . . . 0 C--N 1.312 -1.041 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.939 -176.63 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.09 0 N-CA-C 111.966 -0.453 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.3 p -118.67 175.65 5.63 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.9 t -73.15 -29.36 28.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.11 -39.7 28.99 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.563 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -136.78 111.62 10.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -65.91 -29.9 70.41 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.391 0.615 . . . . 0.0 109.963 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.69 -34.29 72.68 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.016 174.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.1 tp . . . . . 0 C--N 1.31 -1.117 0 CA-C-O 121.417 0.627 . . . . 0.0 109.341 -177.389 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.694 0 N-CA-C 113.356 0.103 . . . . 0.0 113.356 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.0 p -124.54 -176.33 3.5 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.0 t -83.6 -32.44 8.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.62 -39.95 35.74 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.728 0.775 . . . . 0.0 109.394 -177.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.5 t -127.13 105.31 13.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -67.32 -31.36 71.59 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.955 0.407 . . . . 0.0 110.277 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -60.43 -27.5 67.55 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 124.432 1.093 . . . . 0.0 111.254 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.7 tp . . . . . 0 C--N 1.316 -0.884 0 CA-C-O 121.431 0.634 . . . . 0.0 109.594 -176.085 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.51 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.3 p -112.89 177.58 4.58 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.0 t -80.31 -30.04 12.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.43 -40.11 44.56 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 121.576 0.703 . . . . 0.0 109.685 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 37.1 t -126.82 95.3 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -60.31 -31.42 70.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.838 0.352 . . . . 0.0 110.851 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -62.37 -33.42 74.71 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 123.7 0.8 . . . . 0.0 111.136 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.7 tp . . . . . 0 C--N 1.318 -0.773 0 CA-C-O 121.537 0.684 . . . . 0.0 109.644 -176.409 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.092 0 N-CA-C 113.498 0.159 . . . . 0.0 113.498 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.5 p -102.81 178.19 4.63 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.3 t -71.69 -38.74 67.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.867 0.365 . . . . 0.0 110.032 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.92 -39.78 23.26 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.869 0.366 . . . . 0.0 111.192 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.2 t -116.17 94.65 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -58.64 -35.16 72.09 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.925 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -54.45 -36.73 64.39 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.83 1.252 . . . . 0.0 112.449 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.0 tp . . . . . 0 C--N 1.314 -0.976 0 CA-C-O 121.386 0.612 . . . . 0.0 110.463 -175.814 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.715 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.4 p -123.48 178.63 5.08 Favored 'General case' 0 N--CA 1.434 -1.262 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.3 t -77.09 -30.46 17.81 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.61 -39.92 16.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.755 -176.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.4 t -126.19 113.12 32.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -62.55 -39.18 92.8 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -55.63 -34.27 64.77 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 124.295 1.038 . . . . 0.0 112.317 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.6 tp . . . . . 0 C--N 1.311 -1.107 0 CA-C-O 121.165 0.507 . . . . 0.0 109.792 -176.083 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.754 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.4 p -115.9 172.08 7.37 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.48 -28.11 30.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.37 -39.87 24.39 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.18 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.0 t -131.67 102.81 6.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -63.99 -32.56 74.15 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -57.0 -35.29 69.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.332 175.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.4 tp . . . . . 0 C--N 1.316 -0.884 0 CA-C-O 121.294 0.569 . . . . 0.0 110.086 -176.706 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.879 0 CA-C-O 120.428 -0.096 . . . . 0.0 113.025 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.0 p -132.54 -178.31 4.87 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.7 t -85.8 -28.82 6.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.57 -39.87 30.77 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.449 0.643 . . . . 0.0 109.763 -177.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.07 111.5 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -67.87 -37.68 82.11 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -175.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -73.22 -6.8 48.25 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 121.208 0.527 . . . . 0.0 111.406 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 tp . . . . . 0 C--N 1.313 -1.005 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.269 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.945 0 N-CA-C 111.836 -0.505 . . . . 0.0 111.836 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.5 p -124.88 171.66 9.99 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 63.5 t -82.11 -23.64 9.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.6 -39.75 51.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.41 0.624 . . . . 0.0 109.511 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.3 t -135.33 106.71 6.82 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 174.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -56.66 -42.13 78.46 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.193 0.521 . . . . 0.0 110.21 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -51.58 -32.74 29.72 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 124.712 1.205 . . . . 0.0 112.896 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.5 tp . . . . . 0 C--N 1.311 -1.082 0 CA-C-O 121.382 0.611 . . . . 0.0 110.635 -175.733 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.98 0 N-CA-C 112.773 -0.131 . . . . 0.0 112.773 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.2 p -97.66 176.71 5.74 Favored 'General case' 0 N--CA 1.426 -1.648 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -178.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 t -74.7 -37.37 42.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.82 -39.72 61.49 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.491 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.3 t -126.05 92.33 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -56.8 -32.65 65.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.602 0.761 . . . . 0.0 110.175 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -56.83 -38.35 72.51 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.477 175.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.7 tp . . . . . 0 C--N 1.319 -0.731 0 CA-C-O 121.627 0.727 . . . . 0.0 109.847 -176.711 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.816 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.1 p -105.62 -175.98 2.95 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.5 t -84.03 -23.1 7.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-O 121.741 0.781 . . . . 0.0 109.003 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.49 -39.8 12.38 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.947 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.1 t -124.84 104.94 14.37 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.9 -32.99 74.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.14 0.495 . . . . 0.0 110.072 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -55.95 -37.76 69.44 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 124.298 1.039 . . . . 0.0 111.476 175.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.5 tp . . . . . 0 C--N 1.311 -1.098 0 CA-C-O 121.643 0.735 . . . . 0.0 110.361 -175.595 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.066 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.1 p -114.54 -177.63 3.18 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -84.59 -30.97 7.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.06 -40.04 47.7 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.43 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.4 t -126.18 101.19 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -69.12 -35.41 76.38 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.561 -172.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -70.18 -16.73 63.11 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.73 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.1 tp . . . . . 0 N--CA 1.438 -1.07 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.405 -179.444 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.06 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.3 p -110.8 -179.18 3.67 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.18 -35.17 33.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.37 -39.48 22.68 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.198 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.9 t -127.0 108.1 18.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -63.21 -32.47 73.88 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.14 -30.95 66.76 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 123.657 0.783 . . . . 0.0 111.708 176.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.7 tp . . . . . 0 C--N 1.315 -0.926 0 CA-C-O 121.696 0.76 . . . . 0.0 109.706 -179.217 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.631 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.5 p -121.79 -178.22 3.77 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.4 t -74.02 -43.29 52.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.92 -37.74 64.52 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.342 -177.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.5 t -129.45 105.17 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -63.11 -34.38 77.49 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -55.47 -36.67 66.85 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.72 0.808 . . . . 0.0 111.504 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.0 tp . . . . . 0 C--N 1.307 -1.252 0 CA-C-O 121.403 0.62 . . . . 0.0 109.648 -177.191 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.638 0 CA-C-O 120.297 -0.169 . . . . 0.0 112.946 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.2 p -111.58 -179.62 3.76 Favored 'General case' 0 N--CA 1.437 -1.075 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.5 t -79.96 -38.04 18.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.96 62.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.434 -178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.2 t -123.54 96.67 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.302 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -58.03 -36.73 73.13 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.801 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -76.07 -11.07 59.88 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.547 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.5 tp . . . . . 0 C--N 1.314 -0.951 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 -178.82 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.196 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.4 p -124.79 176.68 6.44 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.78 -24.35 6.83 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.0 -40.53 53.5 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.33 0.586 . . . . 0.0 109.479 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -130.02 106.94 13.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 174.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -58.14 -38.68 77.04 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.4 0.619 . . . . 0.0 110.595 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -58.94 -34.18 71.46 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.198 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.7 tp . . . . . 0 C--N 1.314 -0.976 0 CA-C-O 121.365 0.603 . . . . 0.0 110.787 -174.212 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.02 0 N-CA-C 111.791 -0.523 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.1 p -109.39 177.67 4.67 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.6 t -81.06 -30.7 11.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.79 -40.08 34.1 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.598 0.713 . . . . 0.0 110.219 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.0 t -129.34 102.52 7.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -68.73 -22.29 64.33 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 122.136 -0.352 . . . . 0.0 111.901 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -63.03 -33.68 75.96 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.191 172.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 tp . . . . . 0 C--N 1.314 -0.964 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.677 -176.481 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.749 0 CA-C-O 120.168 -0.24 . . . . 0.0 113.421 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.7 p -105.6 179.77 4.17 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.6 t -80.93 -31.05 11.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.47 -40.25 61.98 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.908 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.5 t -130.29 93.9 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -63.59 -28.96 70.28 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.253 0.549 . . . . 0.0 110.695 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -57.18 -36.96 71.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.744 173.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.9 tp . . . . . 0 C--N 1.316 -0.88 0 CA-C-O 121.184 0.516 . . . . 0.0 109.835 -177.701 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.84 0 N-CA-C 111.919 -0.473 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.0 p -106.14 -179.83 4.05 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -74.69 -40.27 47.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 120.908 0.385 . . . . 0.0 110.025 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.32 -34.23 48.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.061 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 t -129.36 95.25 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-O 121.164 0.507 . . . . 0.0 109.817 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -58.51 -31.78 68.2 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 123.597 0.759 . . . . 0.0 110.659 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -56.68 -36.35 69.51 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.073 174.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.7 tp . . . . . 0 C--N 1.31 -1.141 0 CA-C-O 121.46 0.648 . . . . 0.0 109.81 -177.526 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.801 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.0 p -135.16 174.2 10.88 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.5 t -78.74 -25.97 13.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.63 -40.02 17.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.005 0.431 . . . . 0.0 110.977 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.2 t -125.37 108.97 20.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.255 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -54.19 -47.92 71.55 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 123.688 0.795 . . . . 0.0 110.035 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -53.32 -36.58 61.43 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 124.794 1.238 . . . . 0.0 112.872 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.9 tp . . . . . 0 C--N 1.316 -0.86 0 CA-C-O 121.055 0.455 . . . . 0.0 111.296 -174.084 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.005 0 N-CA-C 114.12 0.408 . . . . 0.0 114.12 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.9 p -98.81 -176.36 3.32 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 117.229 0.514 . . . . 0.0 109.778 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.6 t -83.66 -31.25 8.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.18 -38.27 66.22 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.203 0.525 . . . . 0.0 110.418 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.5 t -136.67 100.64 2.21 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -66.51 -27.22 67.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.219 0.533 . . . . 0.0 111.157 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.61 -34.0 68.82 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 124.367 1.067 . . . . 0.0 110.502 172.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.6 tp . . . . . 0 C--N 1.312 -1.041 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.939 -176.63 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.09 0 N-CA-C 111.966 -0.453 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.3 p -118.67 175.65 5.63 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.9 t -73.15 -29.36 28.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.11 -39.7 28.99 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.563 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -136.78 111.62 10.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -65.91 -29.9 70.41 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.391 0.615 . . . . 0.0 109.963 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.69 -34.29 72.68 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.016 174.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.1 tp . . . . . 0 C--N 1.31 -1.117 0 CA-C-O 121.417 0.627 . . . . 0.0 109.341 -177.389 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.694 0 N-CA-C 113.356 0.103 . . . . 0.0 113.356 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.0 p -124.54 -176.33 3.5 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.0 t -83.6 -32.44 8.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.62 -39.95 35.74 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.728 0.775 . . . . 0.0 109.394 -177.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.5 t -127.13 105.31 13.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -67.32 -31.36 71.59 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.955 0.407 . . . . 0.0 110.277 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -60.43 -27.5 67.55 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 124.432 1.093 . . . . 0.0 111.254 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.7 tp . . . . . 0 C--N 1.316 -0.884 0 CA-C-O 121.431 0.634 . . . . 0.0 109.594 -176.085 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.51 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.3 p -112.89 177.58 4.58 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.0 t -80.31 -30.04 12.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.43 -40.11 44.56 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 121.576 0.703 . . . . 0.0 109.685 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 37.1 t -126.82 95.3 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -60.31 -31.42 70.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.838 0.352 . . . . 0.0 110.851 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -62.37 -33.42 74.71 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 123.7 0.8 . . . . 0.0 111.136 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.7 tp . . . . . 0 C--N 1.318 -0.773 0 CA-C-O 121.537 0.684 . . . . 0.0 109.644 -176.409 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.092 0 N-CA-C 113.498 0.159 . . . . 0.0 113.498 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.5 p -102.81 178.19 4.63 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.3 t -71.69 -38.74 67.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.867 0.365 . . . . 0.0 110.032 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.92 -39.78 23.26 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.869 0.366 . . . . 0.0 111.192 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.2 t -116.17 94.65 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -58.64 -35.16 72.09 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.925 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -54.45 -36.73 64.39 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.83 1.252 . . . . 0.0 112.449 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.0 tp . . . . . 0 C--N 1.314 -0.976 0 CA-C-O 121.386 0.612 . . . . 0.0 110.463 -175.814 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.715 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.4 p -123.48 178.63 5.08 Favored 'General case' 0 N--CA 1.434 -1.262 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.3 t -77.09 -30.46 17.81 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.61 -39.92 16.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.755 -176.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.4 t -126.19 113.12 32.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -62.55 -39.18 92.8 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -55.63 -34.27 64.77 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 124.295 1.038 . . . . 0.0 112.317 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.6 tp . . . . . 0 C--N 1.311 -1.107 0 CA-C-O 121.165 0.507 . . . . 0.0 109.792 -176.083 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.754 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.4 p -115.9 172.08 7.37 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.48 -28.11 30.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.37 -39.87 24.39 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.18 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.0 t -131.67 102.81 6.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -63.99 -32.56 74.15 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -57.0 -35.29 69.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.332 175.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.4 tp . . . . . 0 C--N 1.316 -0.884 0 CA-C-O 121.294 0.569 . . . . 0.0 110.086 -176.706 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.879 0 CA-C-O 120.428 -0.096 . . . . 0.0 113.025 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.0 p -132.54 -178.31 4.87 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.7 t -85.8 -28.82 6.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.57 -39.87 30.77 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.449 0.643 . . . . 0.0 109.763 -177.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.07 111.5 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -67.87 -37.68 82.11 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -175.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -73.22 -6.8 48.25 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 121.208 0.527 . . . . 0.0 111.406 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 tp . . . . . 0 C--N 1.313 -1.005 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.269 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.945 0 N-CA-C 111.836 -0.505 . . . . 0.0 111.836 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.5 p -124.88 171.66 9.99 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 63.5 t -82.11 -23.64 9.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.6 -39.75 51.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.41 0.624 . . . . 0.0 109.511 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.3 t -135.33 106.71 6.82 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 174.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -56.66 -42.13 78.46 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.193 0.521 . . . . 0.0 110.21 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -51.58 -32.74 29.72 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 124.712 1.205 . . . . 0.0 112.896 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.5 tp . . . . . 0 C--N 1.311 -1.082 0 CA-C-O 121.382 0.611 . . . . 0.0 110.635 -175.733 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.98 0 N-CA-C 112.773 -0.131 . . . . 0.0 112.773 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.2 p -97.66 176.71 5.74 Favored 'General case' 0 N--CA 1.426 -1.648 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -178.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 t -74.7 -37.37 42.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.82 -39.72 61.49 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.491 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.3 t -126.05 92.33 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -56.8 -32.65 65.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.602 0.761 . . . . 0.0 110.175 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -56.83 -38.35 72.51 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.477 175.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.7 tp . . . . . 0 C--N 1.319 -0.731 0 CA-C-O 121.627 0.727 . . . . 0.0 109.847 -176.711 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.816 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.1 p -105.62 -175.98 2.95 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.5 t -84.03 -23.1 7.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-O 121.741 0.781 . . . . 0.0 109.003 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.49 -39.8 12.38 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.947 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.1 t -124.84 104.94 14.37 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.9 -32.99 74.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.14 0.495 . . . . 0.0 110.072 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -55.95 -37.76 69.44 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 124.298 1.039 . . . . 0.0 111.476 175.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.5 tp . . . . . 0 C--N 1.311 -1.098 0 CA-C-O 121.643 0.735 . . . . 0.0 110.361 -175.595 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.066 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.1 p -114.54 -177.63 3.18 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -84.59 -30.97 7.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.06 -40.04 47.7 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.43 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.4 t -126.18 101.19 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -69.12 -35.41 76.38 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.561 -172.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -70.18 -16.73 63.11 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.73 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.1 tp . . . . . 0 N--CA 1.438 -1.07 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.405 -179.444 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.06 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.3 p -110.8 -179.18 3.67 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.18 -35.17 33.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.37 -39.48 22.68 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.198 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.9 t -127.0 108.1 18.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -63.21 -32.47 73.88 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.14 -30.95 66.76 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 123.657 0.783 . . . . 0.0 111.708 176.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.7 tp . . . . . 0 C--N 1.315 -0.926 0 CA-C-O 121.696 0.76 . . . . 0.0 109.706 -179.217 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.631 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.5 p -121.79 -178.22 3.77 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.4 t -74.02 -43.29 52.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.92 -37.74 64.52 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.342 -177.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.5 t -129.45 105.17 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -63.11 -34.38 77.49 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -55.47 -36.67 66.85 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.72 0.808 . . . . 0.0 111.504 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.0 tp . . . . . 0 C--N 1.307 -1.252 0 CA-C-O 121.403 0.62 . . . . 0.0 109.648 -177.191 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.638 0 CA-C-O 120.297 -0.169 . . . . 0.0 112.946 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.2 p -111.58 -179.62 3.76 Favored 'General case' 0 N--CA 1.437 -1.075 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.5 t -79.96 -38.04 18.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.96 62.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.434 -178.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.2 t -123.54 96.67 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.302 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -58.03 -36.73 73.13 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.801 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -76.07 -11.07 59.88 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.547 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.5 tp . . . . . 0 C--N 1.314 -0.951 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 -178.82 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.196 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.4 p -124.79 176.68 6.44 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.78 -24.35 6.83 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.0 -40.53 53.5 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.33 0.586 . . . . 0.0 109.479 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -130.02 106.94 13.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 174.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -58.14 -38.68 77.04 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.4 0.619 . . . . 0.0 110.595 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -58.94 -34.18 71.46 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.198 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.7 tp . . . . . 0 C--N 1.314 -0.976 0 CA-C-O 121.365 0.603 . . . . 0.0 110.787 -174.212 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.02 0 N-CA-C 111.791 -0.523 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.1 p -109.39 177.67 4.67 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.6 t -81.06 -30.7 11.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.79 -40.08 34.1 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.598 0.713 . . . . 0.0 110.219 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.0 t -129.34 102.52 7.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -68.73 -22.29 64.33 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 122.136 -0.352 . . . . 0.0 111.901 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -63.03 -33.68 75.96 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.191 172.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 tp . . . . . 0 C--N 1.314 -0.964 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.677 -176.481 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.749 0 CA-C-O 120.168 -0.24 . . . . 0.0 113.421 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.7 p -105.6 179.77 4.17 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.6 t -80.93 -31.05 11.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.47 -40.25 61.98 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.908 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.5 t -130.29 93.9 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -63.59 -28.96 70.28 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.253 0.549 . . . . 0.0 110.695 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -57.18 -36.96 71.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.744 173.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.9 tp . . . . . 0 C--N 1.316 -0.88 0 CA-C-O 121.184 0.516 . . . . 0.0 109.835 -177.701 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.84 0 N-CA-C 111.919 -0.473 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.0 p -106.14 -179.83 4.05 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -74.69 -40.27 47.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 120.908 0.385 . . . . 0.0 110.025 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.32 -34.23 48.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.061 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 t -129.36 95.25 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-O 121.164 0.507 . . . . 0.0 109.817 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -58.51 -31.78 68.2 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 123.597 0.759 . . . . 0.0 110.659 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -56.68 -36.35 69.51 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.073 174.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.7 tp . . . . . 0 C--N 1.31 -1.141 0 CA-C-O 121.46 0.648 . . . . 0.0 109.81 -177.526 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.801 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.0 p -135.16 174.2 10.88 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.5 t -78.74 -25.97 13.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.63 -40.02 17.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.005 0.431 . . . . 0.0 110.977 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.2 t -125.37 108.97 20.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.255 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -54.19 -47.92 71.55 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 123.688 0.795 . . . . 0.0 110.035 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -53.32 -36.58 61.43 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 124.794 1.238 . . . . 0.0 112.872 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.9 tp . . . . . 0 C--N 1.316 -0.86 0 CA-C-O 121.055 0.455 . . . . 0.0 111.296 -174.084 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.005 0 N-CA-C 114.12 0.408 . . . . 0.0 114.12 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.9 p -98.81 -176.36 3.32 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 117.229 0.514 . . . . 0.0 109.778 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.6 t -83.66 -31.25 8.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.18 -38.27 66.22 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.203 0.525 . . . . 0.0 110.418 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.5 t -136.67 100.64 2.21 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -66.51 -27.22 67.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.219 0.533 . . . . 0.0 111.157 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.61 -34.0 68.82 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 124.367 1.067 . . . . 0.0 110.502 172.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.6 tp . . . . . 0 C--N 1.312 -1.041 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.939 -176.63 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.09 0 N-CA-C 111.966 -0.453 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.3 p -118.67 175.65 5.63 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.9 t -73.15 -29.36 28.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.11 -39.7 28.99 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.563 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -136.78 111.62 10.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -65.91 -29.9 70.41 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.391 0.615 . . . . 0.0 109.963 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.69 -34.29 72.68 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.016 174.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.1 tp . . . . . 0 C--N 1.31 -1.117 0 CA-C-O 121.417 0.627 . . . . 0.0 109.341 -177.389 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.694 0 N-CA-C 113.356 0.103 . . . . 0.0 113.356 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.0 p -124.54 -176.33 3.5 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.0 t -83.6 -32.44 8.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.62 -39.95 35.74 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.728 0.775 . . . . 0.0 109.394 -177.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.5 t -127.13 105.31 13.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -67.32 -31.36 71.59 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.955 0.407 . . . . 0.0 110.277 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -60.43 -27.5 67.55 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 124.432 1.093 . . . . 0.0 111.254 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.7 tp . . . . . 0 C--N 1.316 -0.884 0 CA-C-O 121.431 0.634 . . . . 0.0 109.594 -176.085 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.51 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.3 p -112.89 177.58 4.58 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.0 t -80.31 -30.04 12.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.43 -40.11 44.56 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 121.576 0.703 . . . . 0.0 109.685 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 37.1 t -126.82 95.3 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -60.31 -31.42 70.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.838 0.352 . . . . 0.0 110.851 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -62.37 -33.42 74.71 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 123.7 0.8 . . . . 0.0 111.136 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.7 tp . . . . . 0 C--N 1.318 -0.773 0 CA-C-O 121.537 0.684 . . . . 0.0 109.644 -176.409 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.092 0 N-CA-C 113.498 0.159 . . . . 0.0 113.498 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.5 p -102.81 178.19 4.63 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.3 t -71.69 -38.74 67.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.867 0.365 . . . . 0.0 110.032 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.92 -39.78 23.26 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.869 0.366 . . . . 0.0 111.192 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.2 t -116.17 94.65 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -58.64 -35.16 72.09 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.925 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -54.45 -36.73 64.39 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.83 1.252 . . . . 0.0 112.449 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.0 tp . . . . . 0 C--N 1.314 -0.976 0 CA-C-O 121.386 0.612 . . . . 0.0 110.463 -175.814 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.715 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.4 p -123.48 178.63 5.08 Favored 'General case' 0 N--CA 1.434 -1.262 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.3 t -77.09 -30.46 17.81 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.61 -39.92 16.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.755 -176.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.4 t -126.19 113.12 32.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -62.55 -39.18 92.8 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -55.63 -34.27 64.77 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 124.295 1.038 . . . . 0.0 112.317 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.6 tp . . . . . 0 C--N 1.311 -1.107 0 CA-C-O 121.165 0.507 . . . . 0.0 109.792 -176.083 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.754 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.4 p -115.9 172.08 7.37 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.48 -28.11 30.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.37 -39.87 24.39 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.18 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.0 t -131.67 102.81 6.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -63.99 -32.56 74.15 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -57.0 -35.29 69.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.332 175.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.4 tp . . . . . 0 C--N 1.316 -0.884 0 CA-C-O 121.294 0.569 . . . . 0.0 110.086 -176.706 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.879 0 CA-C-O 120.428 -0.096 . . . . 0.0 113.025 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.0 p -132.54 -178.31 4.87 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.7 t -85.8 -28.82 6.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.57 -39.87 30.77 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.449 0.643 . . . . 0.0 109.763 -177.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.07 111.5 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -67.87 -37.68 82.11 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -175.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -73.22 -6.8 48.25 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 121.208 0.527 . . . . 0.0 111.406 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 tp . . . . . 0 C--N 1.313 -1.005 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.269 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.945 0 N-CA-C 111.836 -0.505 . . . . 0.0 111.836 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.5 p -124.88 171.66 9.99 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 63.5 t -82.11 -23.64 9.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.6 -39.75 51.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.41 0.624 . . . . 0.0 109.511 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.3 t -135.33 106.71 6.82 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 174.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -56.66 -42.13 78.46 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.193 0.521 . . . . 0.0 110.21 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -51.58 -32.74 29.72 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 124.712 1.205 . . . . 0.0 112.896 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.5 tp . . . . . 0 C--N 1.311 -1.082 0 CA-C-O 121.382 0.611 . . . . 0.0 110.635 -175.733 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.98 0 N-CA-C 112.773 -0.131 . . . . 0.0 112.773 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.2 p -97.66 176.71 5.74 Favored 'General case' 0 N--CA 1.426 -1.648 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -178.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 t -74.7 -37.37 42.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.82 -39.72 61.49 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.491 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.3 t -126.05 92.33 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -56.8 -32.65 65.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.602 0.761 . . . . 0.0 110.175 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -56.83 -38.35 72.51 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.477 175.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.7 tp . . . . . 0 C--N 1.319 -0.731 0 CA-C-O 121.627 0.727 . . . . 0.0 109.847 -176.711 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.816 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.1 p -105.62 -175.98 2.95 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.5 t -84.03 -23.1 7.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-O 121.741 0.781 . . . . 0.0 109.003 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.49 -39.8 12.38 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.947 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.1 t -124.84 104.94 14.37 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.9 -32.99 74.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.14 0.495 . . . . 0.0 110.072 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -55.95 -37.76 69.44 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 124.298 1.039 . . . . 0.0 111.476 175.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.5 tp . . . . . 0 C--N 1.311 -1.098 0 CA-C-O 121.643 0.735 . . . . 0.0 110.361 -175.595 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.066 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.1 p -114.54 -177.63 3.18 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -84.59 -30.97 7.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.06 -40.04 47.7 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.43 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.4 t -126.18 101.19 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -69.12 -35.41 76.38 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.561 -172.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -70.18 -16.73 63.11 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.73 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.1 tp . . . . . 0 N--CA 1.438 -1.07 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.405 -179.444 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.06 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.3 p -110.8 -179.18 3.67 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.18 -35.17 33.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.37 -39.48 22.68 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.198 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.9 t -127.0 108.1 18.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -63.21 -32.47 73.88 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.14 -30.95 66.76 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 123.657 0.783 . . . . 0.0 111.708 176.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.7 tp . . . . . 0 C--N 1.315 -0.926 0 CA-C-O 121.696 0.76 . . . . 0.0 109.706 -179.217 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.631 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.5 p -121.79 -178.22 3.77 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.4 t -74.02 -43.29 52.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.92 -37.74 64.52 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.342 -177.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.5 t -129.45 105.17 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -63.11 -34.38 77.49 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -55.47 -36.67 66.85 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.72 0.808 . . . . 0.0 111.504 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.0 tp . . . . . 0 C--N 1.307 -1.252 0 CA-C-O 121.403 0.62 . . . . 0.0 109.648 -177.191 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.638 0 CA-C-O 120.297 -0.169 . . . . 0.0 112.946 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.2 p -111.58 -179.62 3.76 Favored 'General case' 0 N--CA 1.437 -1.075 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.5 t -79.96 -38.04 18.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.96 62.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.434 -178.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.2 t -123.54 96.67 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.302 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -58.03 -36.73 73.13 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.801 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -76.07 -11.07 59.88 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.547 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.5 tp . . . . . 0 C--N 1.314 -0.951 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 -178.82 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.196 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.4 p -124.79 176.68 6.44 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.78 -24.35 6.83 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.0 -40.53 53.5 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.33 0.586 . . . . 0.0 109.479 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -130.02 106.94 13.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 174.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -58.14 -38.68 77.04 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.4 0.619 . . . . 0.0 110.595 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -58.94 -34.18 71.46 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.198 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.7 tp . . . . . 0 C--N 1.314 -0.976 0 CA-C-O 121.365 0.603 . . . . 0.0 110.787 -174.212 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.02 0 N-CA-C 111.791 -0.523 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.1 p -109.39 177.67 4.67 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.6 t -81.06 -30.7 11.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.79 -40.08 34.1 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.598 0.713 . . . . 0.0 110.219 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.0 t -129.34 102.52 7.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -68.73 -22.29 64.33 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 122.136 -0.352 . . . . 0.0 111.901 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -63.03 -33.68 75.96 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.191 172.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 tp . . . . . 0 C--N 1.314 -0.964 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.677 -176.481 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.749 0 CA-C-O 120.168 -0.24 . . . . 0.0 113.421 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.7 p -105.6 179.77 4.17 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.6 t -80.93 -31.05 11.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.47 -40.25 61.98 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.908 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.5 t -130.29 93.9 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -63.59 -28.96 70.28 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.253 0.549 . . . . 0.0 110.695 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -57.18 -36.96 71.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.744 173.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.9 tp . . . . . 0 C--N 1.316 -0.88 0 CA-C-O 121.184 0.516 . . . . 0.0 109.835 -177.701 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.84 0 N-CA-C 111.919 -0.473 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.0 p -106.14 -179.83 4.05 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -74.69 -40.27 47.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 120.908 0.385 . . . . 0.0 110.025 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.32 -34.23 48.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.061 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 t -129.36 95.25 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-O 121.164 0.507 . . . . 0.0 109.817 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -58.51 -31.78 68.2 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 123.597 0.759 . . . . 0.0 110.659 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -56.68 -36.35 69.51 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.073 174.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.7 tp . . . . . 0 C--N 1.31 -1.141 0 CA-C-O 121.46 0.648 . . . . 0.0 109.81 -177.526 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.801 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.0 p -135.16 174.2 10.88 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.5 t -78.74 -25.97 13.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.63 -40.02 17.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.005 0.431 . . . . 0.0 110.977 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.2 t -125.37 108.97 20.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.255 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -54.19 -47.92 71.55 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 123.688 0.795 . . . . 0.0 110.035 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -53.32 -36.58 61.43 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 124.794 1.238 . . . . 0.0 112.872 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.9 tp . . . . . 0 C--N 1.316 -0.86 0 CA-C-O 121.055 0.455 . . . . 0.0 111.296 -174.084 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.005 0 N-CA-C 114.12 0.408 . . . . 0.0 114.12 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.9 p -98.81 -176.36 3.32 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 117.229 0.514 . . . . 0.0 109.778 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.6 t -83.66 -31.25 8.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.18 -38.27 66.22 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.203 0.525 . . . . 0.0 110.418 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.5 t -136.67 100.64 2.21 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -66.51 -27.22 67.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.219 0.533 . . . . 0.0 111.157 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.61 -34.0 68.82 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 124.367 1.067 . . . . 0.0 110.502 172.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.6 tp . . . . . 0 C--N 1.312 -1.041 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.939 -176.63 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.09 0 N-CA-C 111.966 -0.453 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.3 p -118.67 175.65 5.63 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.9 t -73.15 -29.36 28.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.11 -39.7 28.99 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.563 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -136.78 111.62 10.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -65.91 -29.9 70.41 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.391 0.615 . . . . 0.0 109.963 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.69 -34.29 72.68 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.016 174.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.1 tp . . . . . 0 C--N 1.31 -1.117 0 CA-C-O 121.417 0.627 . . . . 0.0 109.341 -177.389 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.694 0 N-CA-C 113.356 0.103 . . . . 0.0 113.356 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.0 p -124.54 -176.33 3.5 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.0 t -83.6 -32.44 8.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.62 -39.95 35.74 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.728 0.775 . . . . 0.0 109.394 -177.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.5 t -127.13 105.31 13.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -67.32 -31.36 71.59 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.955 0.407 . . . . 0.0 110.277 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -60.43 -27.5 67.55 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 124.432 1.093 . . . . 0.0 111.254 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.7 tp . . . . . 0 C--N 1.316 -0.884 0 CA-C-O 121.431 0.634 . . . . 0.0 109.594 -176.085 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.51 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.3 p -112.89 177.58 4.58 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.0 t -80.31 -30.04 12.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.43 -40.11 44.56 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 121.576 0.703 . . . . 0.0 109.685 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 37.1 t -126.82 95.3 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -60.31 -31.42 70.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.838 0.352 . . . . 0.0 110.851 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -62.37 -33.42 74.71 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 123.7 0.8 . . . . 0.0 111.136 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.7 tp . . . . . 0 C--N 1.318 -0.773 0 CA-C-O 121.537 0.684 . . . . 0.0 109.644 -176.409 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.092 0 N-CA-C 113.498 0.159 . . . . 0.0 113.498 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.5 p -102.81 178.19 4.63 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.3 t -71.69 -38.74 67.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.867 0.365 . . . . 0.0 110.032 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.92 -39.78 23.26 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.869 0.366 . . . . 0.0 111.192 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.2 t -116.17 94.65 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -58.64 -35.16 72.09 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.925 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -54.45 -36.73 64.39 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.83 1.252 . . . . 0.0 112.449 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.0 tp . . . . . 0 C--N 1.314 -0.976 0 CA-C-O 121.386 0.612 . . . . 0.0 110.463 -175.814 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.715 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.4 p -123.48 178.63 5.08 Favored 'General case' 0 N--CA 1.434 -1.262 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.3 t -77.09 -30.46 17.81 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.61 -39.92 16.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.755 -176.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.4 t -126.19 113.12 32.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -62.55 -39.18 92.8 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -55.63 -34.27 64.77 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 124.295 1.038 . . . . 0.0 112.317 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.6 tp . . . . . 0 C--N 1.311 -1.107 0 CA-C-O 121.165 0.507 . . . . 0.0 109.792 -176.083 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.754 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.4 p -115.9 172.08 7.37 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.48 -28.11 30.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.37 -39.87 24.39 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.18 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.0 t -131.67 102.81 6.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -63.99 -32.56 74.15 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -57.0 -35.29 69.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.332 175.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.4 tp . . . . . 0 C--N 1.316 -0.884 0 CA-C-O 121.294 0.569 . . . . 0.0 110.086 -176.706 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.879 0 CA-C-O 120.428 -0.096 . . . . 0.0 113.025 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.0 p -132.54 -178.31 4.87 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.7 t -85.8 -28.82 6.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.57 -39.87 30.77 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.449 0.643 . . . . 0.0 109.763 -177.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.07 111.5 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -67.87 -37.68 82.11 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -175.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -73.22 -6.8 48.25 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 121.208 0.527 . . . . 0.0 111.406 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 tp . . . . . 0 C--N 1.313 -1.005 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.269 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.945 0 N-CA-C 111.836 -0.505 . . . . 0.0 111.836 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.5 p -124.88 171.66 9.99 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 63.5 t -82.11 -23.64 9.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.6 -39.75 51.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.41 0.624 . . . . 0.0 109.511 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.3 t -135.33 106.71 6.82 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 174.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -56.66 -42.13 78.46 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.193 0.521 . . . . 0.0 110.21 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -51.58 -32.74 29.72 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 124.712 1.205 . . . . 0.0 112.896 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.5 tp . . . . . 0 C--N 1.311 -1.082 0 CA-C-O 121.382 0.611 . . . . 0.0 110.635 -175.733 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.98 0 N-CA-C 112.773 -0.131 . . . . 0.0 112.773 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.2 p -97.66 176.71 5.74 Favored 'General case' 0 N--CA 1.426 -1.648 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -178.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 t -74.7 -37.37 42.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.82 -39.72 61.49 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.491 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.3 t -126.05 92.33 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -56.8 -32.65 65.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.602 0.761 . . . . 0.0 110.175 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -56.83 -38.35 72.51 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.477 175.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.7 tp . . . . . 0 C--N 1.319 -0.731 0 CA-C-O 121.627 0.727 . . . . 0.0 109.847 -176.711 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.816 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.1 p -105.62 -175.98 2.95 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.5 t -84.03 -23.1 7.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-O 121.741 0.781 . . . . 0.0 109.003 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.49 -39.8 12.38 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.947 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.1 t -124.84 104.94 14.37 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.9 -32.99 74.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.14 0.495 . . . . 0.0 110.072 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -55.95 -37.76 69.44 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 124.298 1.039 . . . . 0.0 111.476 175.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.5 tp . . . . . 0 C--N 1.311 -1.098 0 CA-C-O 121.643 0.735 . . . . 0.0 110.361 -175.595 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.066 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.1 p -114.54 -177.63 3.18 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -84.59 -30.97 7.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.06 -40.04 47.7 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.43 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.4 t -126.18 101.19 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -69.12 -35.41 76.38 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.561 -172.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -70.18 -16.73 63.11 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.73 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.1 tp . . . . . 0 N--CA 1.438 -1.07 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.405 -179.444 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.06 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.3 p -110.8 -179.18 3.67 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.18 -35.17 33.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.37 -39.48 22.68 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.198 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.9 t -127.0 108.1 18.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -63.21 -32.47 73.88 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.14 -30.95 66.76 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 123.657 0.783 . . . . 0.0 111.708 176.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.7 tp . . . . . 0 C--N 1.315 -0.926 0 CA-C-O 121.696 0.76 . . . . 0.0 109.706 -179.217 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.631 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.5 p -121.79 -178.22 3.77 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.4 t -74.02 -43.29 52.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.92 -37.74 64.52 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.342 -177.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.5 t -129.45 105.17 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -63.11 -34.38 77.49 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -55.47 -36.67 66.85 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.72 0.808 . . . . 0.0 111.504 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.0 tp . . . . . 0 C--N 1.307 -1.252 0 CA-C-O 121.403 0.62 . . . . 0.0 109.648 -177.191 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.638 0 CA-C-O 120.297 -0.169 . . . . 0.0 112.946 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.2 p -111.58 -179.62 3.76 Favored 'General case' 0 N--CA 1.437 -1.075 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.5 t -79.96 -38.04 18.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.96 62.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.434 -178.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.2 t -123.54 96.67 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.302 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -58.03 -36.73 73.13 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.801 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -76.07 -11.07 59.88 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.547 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.5 tp . . . . . 0 C--N 1.314 -0.951 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 -178.82 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.196 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.4 p -124.79 176.68 6.44 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.78 -24.35 6.83 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.0 -40.53 53.5 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.33 0.586 . . . . 0.0 109.479 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -130.02 106.94 13.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 174.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -58.14 -38.68 77.04 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.4 0.619 . . . . 0.0 110.595 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -58.94 -34.18 71.46 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.198 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.7 tp . . . . . 0 C--N 1.314 -0.976 0 CA-C-O 121.365 0.603 . . . . 0.0 110.787 -174.212 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.02 0 N-CA-C 111.791 -0.523 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.1 p -109.39 177.67 4.67 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.6 t -81.06 -30.7 11.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.79 -40.08 34.1 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.598 0.713 . . . . 0.0 110.219 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.0 t -129.34 102.52 7.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -68.73 -22.29 64.33 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 122.136 -0.352 . . . . 0.0 111.901 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -63.03 -33.68 75.96 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.191 172.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 tp . . . . . 0 C--N 1.314 -0.964 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.677 -176.481 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.749 0 CA-C-O 120.168 -0.24 . . . . 0.0 113.421 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.7 p -105.6 179.77 4.17 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.6 t -80.93 -31.05 11.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.47 -40.25 61.98 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.908 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.5 t -130.29 93.9 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -63.59 -28.96 70.28 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.253 0.549 . . . . 0.0 110.695 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -57.18 -36.96 71.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.744 173.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.9 tp . . . . . 0 C--N 1.316 -0.88 0 CA-C-O 121.184 0.516 . . . . 0.0 109.835 -177.701 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.84 0 N-CA-C 111.919 -0.473 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.0 p -106.14 -179.83 4.05 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -74.69 -40.27 47.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 120.908 0.385 . . . . 0.0 110.025 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.32 -34.23 48.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.061 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 t -129.36 95.25 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-O 121.164 0.507 . . . . 0.0 109.817 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -58.51 -31.78 68.2 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 123.597 0.759 . . . . 0.0 110.659 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -56.68 -36.35 69.51 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.073 174.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.7 tp . . . . . 0 C--N 1.31 -1.141 0 CA-C-O 121.46 0.648 . . . . 0.0 109.81 -177.526 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.801 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.0 p -135.16 174.2 10.88 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.5 t -78.74 -25.97 13.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.63 -40.02 17.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.005 0.431 . . . . 0.0 110.977 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.2 t -125.37 108.97 20.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.255 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -54.19 -47.92 71.55 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 123.688 0.795 . . . . 0.0 110.035 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -53.32 -36.58 61.43 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 124.794 1.238 . . . . 0.0 112.872 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.9 tp . . . . . 0 C--N 1.316 -0.86 0 CA-C-O 121.055 0.455 . . . . 0.0 111.296 -174.084 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.005 0 N-CA-C 114.12 0.408 . . . . 0.0 114.12 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.9 p -98.81 -176.36 3.32 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 117.229 0.514 . . . . 0.0 109.778 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.6 t -83.66 -31.25 8.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.18 -38.27 66.22 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.203 0.525 . . . . 0.0 110.418 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.5 t -136.67 100.64 2.21 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -66.51 -27.22 67.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.219 0.533 . . . . 0.0 111.157 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.61 -34.0 68.82 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 124.367 1.067 . . . . 0.0 110.502 172.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.6 tp . . . . . 0 C--N 1.312 -1.041 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.939 -176.63 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.09 0 N-CA-C 111.966 -0.453 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.3 p -118.67 175.65 5.63 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.9 t -73.15 -29.36 28.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.11 -39.7 28.99 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.563 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -136.78 111.62 10.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -65.91 -29.9 70.41 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.391 0.615 . . . . 0.0 109.963 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.69 -34.29 72.68 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.016 174.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.1 tp . . . . . 0 C--N 1.31 -1.117 0 CA-C-O 121.417 0.627 . . . . 0.0 109.341 -177.389 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.694 0 N-CA-C 113.356 0.103 . . . . 0.0 113.356 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.0 p -124.54 -176.33 3.5 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.0 t -83.6 -32.44 8.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.62 -39.95 35.74 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.728 0.775 . . . . 0.0 109.394 -177.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.5 t -127.13 105.31 13.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -67.32 -31.36 71.59 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.955 0.407 . . . . 0.0 110.277 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -60.43 -27.5 67.55 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 124.432 1.093 . . . . 0.0 111.254 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.7 tp . . . . . 0 C--N 1.316 -0.884 0 CA-C-O 121.431 0.634 . . . . 0.0 109.594 -176.085 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.51 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.3 p -112.89 177.58 4.58 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.0 t -80.31 -30.04 12.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.43 -40.11 44.56 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 121.576 0.703 . . . . 0.0 109.685 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 37.1 t -126.82 95.3 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -60.31 -31.42 70.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.838 0.352 . . . . 0.0 110.851 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -62.37 -33.42 74.71 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 123.7 0.8 . . . . 0.0 111.136 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.7 tp . . . . . 0 C--N 1.318 -0.773 0 CA-C-O 121.537 0.684 . . . . 0.0 109.644 -176.409 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.092 0 N-CA-C 113.498 0.159 . . . . 0.0 113.498 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.5 p -102.81 178.19 4.63 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.3 t -71.69 -38.74 67.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.867 0.365 . . . . 0.0 110.032 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.92 -39.78 23.26 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.869 0.366 . . . . 0.0 111.192 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.2 t -116.17 94.65 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -58.64 -35.16 72.09 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.925 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -54.45 -36.73 64.39 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.83 1.252 . . . . 0.0 112.449 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.0 tp . . . . . 0 C--N 1.314 -0.976 0 CA-C-O 121.386 0.612 . . . . 0.0 110.463 -175.814 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.715 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.4 p -123.48 178.63 5.08 Favored 'General case' 0 N--CA 1.434 -1.262 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.3 t -77.09 -30.46 17.81 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.61 -39.92 16.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.755 -176.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.4 t -126.19 113.12 32.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -62.55 -39.18 92.8 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -55.63 -34.27 64.77 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 124.295 1.038 . . . . 0.0 112.317 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.6 tp . . . . . 0 C--N 1.311 -1.107 0 CA-C-O 121.165 0.507 . . . . 0.0 109.792 -176.083 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.754 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.4 p -115.9 172.08 7.37 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.48 -28.11 30.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.37 -39.87 24.39 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.18 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.0 t -131.67 102.81 6.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -63.99 -32.56 74.15 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -57.0 -35.29 69.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.332 175.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.4 tp . . . . . 0 C--N 1.316 -0.884 0 CA-C-O 121.294 0.569 . . . . 0.0 110.086 -176.706 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.879 0 CA-C-O 120.428 -0.096 . . . . 0.0 113.025 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.0 p -132.54 -178.31 4.87 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.7 t -85.8 -28.82 6.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.57 -39.87 30.77 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.449 0.643 . . . . 0.0 109.763 -177.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.07 111.5 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -67.87 -37.68 82.11 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -175.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -73.22 -6.8 48.25 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 121.208 0.527 . . . . 0.0 111.406 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 tp . . . . . 0 C--N 1.313 -1.005 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.269 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.945 0 N-CA-C 111.836 -0.505 . . . . 0.0 111.836 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.5 p -124.88 171.66 9.99 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 63.5 t -82.11 -23.64 9.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.6 -39.75 51.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.41 0.624 . . . . 0.0 109.511 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.3 t -135.33 106.71 6.82 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 174.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -56.66 -42.13 78.46 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.193 0.521 . . . . 0.0 110.21 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -51.58 -32.74 29.72 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 124.712 1.205 . . . . 0.0 112.896 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.5 tp . . . . . 0 C--N 1.311 -1.082 0 CA-C-O 121.382 0.611 . . . . 0.0 110.635 -175.733 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.98 0 N-CA-C 112.773 -0.131 . . . . 0.0 112.773 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.2 p -97.66 176.71 5.74 Favored 'General case' 0 N--CA 1.426 -1.648 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -178.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 t -74.7 -37.37 42.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.82 -39.72 61.49 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.491 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.3 t -126.05 92.33 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -56.8 -32.65 65.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.602 0.761 . . . . 0.0 110.175 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -56.83 -38.35 72.51 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.477 175.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.7 tp . . . . . 0 C--N 1.319 -0.731 0 CA-C-O 121.627 0.727 . . . . 0.0 109.847 -176.711 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.816 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.1 p -105.62 -175.98 2.95 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.5 t -84.03 -23.1 7.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-O 121.741 0.781 . . . . 0.0 109.003 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.49 -39.8 12.38 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.947 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.1 t -124.84 104.94 14.37 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.9 -32.99 74.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.14 0.495 . . . . 0.0 110.072 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -55.95 -37.76 69.44 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 124.298 1.039 . . . . 0.0 111.476 175.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.5 tp . . . . . 0 C--N 1.311 -1.098 0 CA-C-O 121.643 0.735 . . . . 0.0 110.361 -175.595 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.066 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.1 p -114.54 -177.63 3.18 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -84.59 -30.97 7.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.06 -40.04 47.7 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.43 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.4 t -126.18 101.19 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -69.12 -35.41 76.38 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.561 -172.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -70.18 -16.73 63.11 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.73 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.1 tp . . . . . 0 N--CA 1.438 -1.07 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.405 -179.444 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.06 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.3 p -110.8 -179.18 3.67 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.18 -35.17 33.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.37 -39.48 22.68 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.198 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.9 t -127.0 108.1 18.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -63.21 -32.47 73.88 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.14 -30.95 66.76 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 123.657 0.783 . . . . 0.0 111.708 176.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.7 tp . . . . . 0 C--N 1.315 -0.926 0 CA-C-O 121.696 0.76 . . . . 0.0 109.706 -179.217 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.631 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.5 p -121.79 -178.22 3.77 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.4 t -74.02 -43.29 52.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.92 -37.74 64.52 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.342 -177.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.5 t -129.45 105.17 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -63.11 -34.38 77.49 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -55.47 -36.67 66.85 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.72 0.808 . . . . 0.0 111.504 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.0 tp . . . . . 0 C--N 1.307 -1.252 0 CA-C-O 121.403 0.62 . . . . 0.0 109.648 -177.191 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.638 0 CA-C-O 120.297 -0.169 . . . . 0.0 112.946 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.2 p -111.58 -179.62 3.76 Favored 'General case' 0 N--CA 1.437 -1.075 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.5 t -79.96 -38.04 18.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.96 62.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.434 -178.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.2 t -123.54 96.67 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.302 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -58.03 -36.73 73.13 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.255 -0.884 . . . . 0.0 112.801 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -76.07 -11.07 59.88 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.547 -178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.5 tp . . . . . 0 C--N 1.314 -0.951 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 -178.82 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.196 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.4 p -124.79 176.68 6.44 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -85.78 -24.35 6.83 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 177.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.0 -40.53 53.5 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.33 0.586 . . . . 0.0 109.479 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -130.02 106.94 13.99 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 174.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -58.14 -38.68 77.04 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.4 0.619 . . . . 0.0 110.595 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -58.94 -34.18 71.46 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.198 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.7 tp . . . . . 0 C--N 1.314 -0.976 0 CA-C-O 121.365 0.603 . . . . 0.0 110.787 -174.212 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.02 0 N-CA-C 111.791 -0.523 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.1 p -109.39 177.67 4.67 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.6 t -81.06 -30.7 11.67 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.79 -40.08 34.1 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.598 0.713 . . . . 0.0 110.219 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.0 t -129.34 102.52 7.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -68.73 -22.29 64.33 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 122.136 -0.352 . . . . 0.0 111.901 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -63.03 -33.68 75.96 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.191 172.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 tp . . . . . 0 C--N 1.314 -0.964 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.677 -176.481 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.749 0 CA-C-O 120.168 -0.24 . . . . 0.0 113.421 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.7 p -105.6 179.77 4.17 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.6 t -80.93 -31.05 11.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.47 -40.25 61.98 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.908 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.5 t -130.29 93.9 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -63.59 -28.96 70.28 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.253 0.549 . . . . 0.0 110.695 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -57.18 -36.96 71.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.744 173.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.9 tp . . . . . 0 C--N 1.316 -0.88 0 CA-C-O 121.184 0.516 . . . . 0.0 109.835 -177.701 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.84 0 N-CA-C 111.919 -0.473 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.0 p -106.14 -179.83 4.05 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -74.69 -40.27 47.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 120.908 0.385 . . . . 0.0 110.025 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.32 -34.23 48.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.061 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 t -129.36 95.25 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-O 121.164 0.507 . . . . 0.0 109.817 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -58.51 -31.78 68.2 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 123.597 0.759 . . . . 0.0 110.659 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -56.68 -36.35 69.51 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.073 174.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.7 tp . . . . . 0 C--N 1.31 -1.141 0 CA-C-O 121.46 0.648 . . . . 0.0 109.81 -177.526 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.801 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.0 p -135.16 174.2 10.88 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.5 t -78.74 -25.97 13.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.63 -40.02 17.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.005 0.431 . . . . 0.0 110.977 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.2 t -125.37 108.97 20.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.255 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -54.19 -47.92 71.55 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 123.688 0.795 . . . . 0.0 110.035 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -53.32 -36.58 61.43 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 124.794 1.238 . . . . 0.0 112.872 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.9 tp . . . . . 0 C--N 1.316 -0.86 0 CA-C-O 121.055 0.455 . . . . 0.0 111.296 -174.084 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.005 0 N-CA-C 114.12 0.408 . . . . 0.0 114.12 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.9 p -98.81 -176.36 3.32 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 117.229 0.514 . . . . 0.0 109.778 -177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.6 t -83.66 -31.25 8.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 175.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.18 -38.27 66.22 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.203 0.525 . . . . 0.0 110.418 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.5 t -136.67 100.64 2.21 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -66.51 -27.22 67.6 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.219 0.533 . . . . 0.0 111.157 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.61 -34.0 68.82 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 124.367 1.067 . . . . 0.0 110.502 172.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.6 tp . . . . . 0 C--N 1.312 -1.041 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.939 -176.63 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.09 0 N-CA-C 111.966 -0.453 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.3 p -118.67 175.65 5.63 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.9 t -73.15 -29.36 28.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.11 -39.7 28.99 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.563 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.9 t -136.78 111.62 10.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -65.91 -29.9 70.41 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.391 0.615 . . . . 0.0 109.963 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.69 -34.29 72.68 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.016 174.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.1 tp . . . . . 0 C--N 1.31 -1.117 0 CA-C-O 121.417 0.627 . . . . 0.0 109.341 -177.389 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.694 0 N-CA-C 113.356 0.103 . . . . 0.0 113.356 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.0 p -124.54 -176.33 3.5 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.0 t -83.6 -32.44 8.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.62 -39.95 35.74 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 121.728 0.775 . . . . 0.0 109.394 -177.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.5 t -127.13 105.31 13.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -67.32 -31.36 71.59 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.955 0.407 . . . . 0.0 110.277 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -60.43 -27.5 67.55 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 124.432 1.093 . . . . 0.0 111.254 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.7 tp . . . . . 0 C--N 1.316 -0.884 0 CA-C-O 121.431 0.634 . . . . 0.0 109.594 -176.085 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.51 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.3 p -112.89 177.58 4.58 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.0 t -80.31 -30.04 12.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.43 -40.11 44.56 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 121.576 0.703 . . . . 0.0 109.685 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 37.1 t -126.82 95.3 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -60.31 -31.42 70.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.838 0.352 . . . . 0.0 110.851 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -62.37 -33.42 74.71 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 123.7 0.8 . . . . 0.0 111.136 176.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.7 tp . . . . . 0 C--N 1.318 -0.773 0 CA-C-O 121.537 0.684 . . . . 0.0 109.644 -176.409 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.092 0 N-CA-C 113.498 0.159 . . . . 0.0 113.498 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.5 p -102.81 178.19 4.63 Favored 'General case' 0 N--CA 1.433 -1.277 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.3 t -71.69 -38.74 67.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.867 0.365 . . . . 0.0 110.032 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.92 -39.78 23.26 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.869 0.366 . . . . 0.0 111.192 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.2 t -116.17 94.65 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -58.64 -35.16 72.09 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.925 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -54.45 -36.73 64.39 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.83 1.252 . . . . 0.0 112.449 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.0 tp . . . . . 0 C--N 1.314 -0.976 0 CA-C-O 121.386 0.612 . . . . 0.0 110.463 -175.814 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.715 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.4 p -123.48 178.63 5.08 Favored 'General case' 0 N--CA 1.434 -1.262 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.3 t -77.09 -30.46 17.81 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.61 -39.92 16.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.755 -176.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 48.4 t -126.19 113.12 32.51 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -62.55 -39.18 92.8 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -55.63 -34.27 64.77 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 124.295 1.038 . . . . 0.0 112.317 177.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.6 tp . . . . . 0 C--N 1.311 -1.107 0 CA-C-O 121.165 0.507 . . . . 0.0 109.792 -176.083 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.754 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.4 p -115.9 172.08 7.37 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.48 -28.11 30.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.37 -39.87 24.39 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.18 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.0 t -131.67 102.81 6.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -63.99 -32.56 74.15 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -57.0 -35.29 69.05 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.332 175.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.4 tp . . . . . 0 C--N 1.316 -0.884 0 CA-C-O 121.294 0.569 . . . . 0.0 110.086 -176.706 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.879 0 CA-C-O 120.428 -0.096 . . . . 0.0 113.025 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.0 p -132.54 -178.31 4.87 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.7 t -85.8 -28.82 6.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.57 -39.87 30.77 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.449 0.643 . . . . 0.0 109.763 -177.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.07 111.5 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -67.87 -37.68 82.11 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -175.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -73.22 -6.8 48.25 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 121.208 0.527 . . . . 0.0 111.406 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.2 tp . . . . . 0 C--N 1.313 -1.005 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.269 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.945 0 N-CA-C 111.836 -0.505 . . . . 0.0 111.836 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.5 p -124.88 171.66 9.99 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 63.5 t -82.11 -23.64 9.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.6 -39.75 51.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.41 0.624 . . . . 0.0 109.511 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.3 t -135.33 106.71 6.82 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 174.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -56.66 -42.13 78.46 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.193 0.521 . . . . 0.0 110.21 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -51.58 -32.74 29.72 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 124.712 1.205 . . . . 0.0 112.896 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.5 tp . . . . . 0 C--N 1.311 -1.082 0 CA-C-O 121.382 0.611 . . . . 0.0 110.635 -175.733 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.98 0 N-CA-C 112.773 -0.131 . . . . 0.0 112.773 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.2 p -97.66 176.71 5.74 Favored 'General case' 0 N--CA 1.426 -1.648 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -178.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 t -74.7 -37.37 42.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.82 -39.72 61.49 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.491 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.3 t -126.05 92.33 2.0 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -56.8 -32.65 65.9 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.602 0.761 . . . . 0.0 110.175 179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -56.83 -38.35 72.51 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.477 175.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.7 tp . . . . . 0 C--N 1.319 -0.731 0 CA-C-O 121.627 0.727 . . . . 0.0 109.847 -176.711 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.816 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 66.1 p -105.62 -175.98 2.95 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.5 t -84.03 -23.1 7.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-O 121.741 0.781 . . . . 0.0 109.003 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.49 -39.8 12.38 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.947 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.1 t -124.84 104.94 14.37 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.9 -32.99 74.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.14 0.495 . . . . 0.0 110.072 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -55.95 -37.76 69.44 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 124.298 1.039 . . . . 0.0 111.476 175.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.5 tp . . . . . 0 C--N 1.311 -1.098 0 CA-C-O 121.643 0.735 . . . . 0.0 110.361 -175.595 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.066 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.1 p -114.54 -177.63 3.18 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -84.59 -30.97 7.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.193 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.06 -40.04 47.7 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.43 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.4 t -126.18 101.19 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 107.359 -1.348 . . . . 0.0 107.359 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -69.12 -35.41 76.38 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.561 -172.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -70.18 -16.73 63.11 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.73 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.1 tp . . . . . 0 N--CA 1.438 -1.07 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.405 -179.444 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.06 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.3 p -110.8 -179.18 3.67 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.18 -35.17 33.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.37 -39.48 22.68 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.198 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.9 t -127.0 108.1 18.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -63.21 -32.47 73.88 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.14 -30.95 66.76 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 123.657 0.783 . . . . 0.0 111.708 176.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.7 tp . . . . . 0 C--N 1.315 -0.926 0 CA-C-O 121.696 0.76 . . . . 0.0 109.706 -179.217 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.631 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.5 p -121.79 -178.22 3.77 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 90.4 t -74.02 -43.29 52.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.92 -37.74 64.52 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.342 -177.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.5 t -129.45 105.17 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -63.11 -34.38 77.49 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -55.47 -36.67 66.85 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.72 0.808 . . . . 0.0 111.504 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.0 tp . . . . . 0 C--N 1.307 -1.252 0 CA-C-O 121.403 0.62 . . . . 0.0 109.648 -177.191 . . . . . . . . 0 0 . 1 stop_ save_