data_6rhy_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 6rhy _Structure_validation_residue.Date_analyzed 2019-09-20 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 ' 10' ' ' TYR . . . . . . . . . . . . . 24.3 p90 . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -134.3 130.02 36.42 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.1 p -98.31 138.84 21.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.051 0.453 . . . . 0.0 110.602 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -127.58 135.64 50.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -147.96 136.03 21.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.857 0.36 . . . . 0.0 110.233 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -147.86 133.13 18.44 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -138.02 140.01 39.9 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -152.36 149.74 28.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.234 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -125.31 141.72 44.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.456 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -126.78 129.59 48.63 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -125.71 130.16 50.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.239 0.542 . . . . 0.0 110.982 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.425 179.748 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.834 0 N-CA-C 112.206 -0.358 . . . . 0.0 112.206 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.76 131.87 36.08 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.767 0.317 . . . . 0.0 110.52 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 tt -131.58 139.06 51.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.362 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 tt -131.53 133.33 61.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.479 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.08 132.5 9.86 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 176.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.2 tp -123.97 128.54 49.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.822 0.344 . . . . 0.0 110.655 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.1 mtm -130.92 120.93 24.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.821 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -123.12 131.7 72.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.905 0.384 . . . . 0.0 110.571 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.99 131.13 5.72 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 177.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.93 154.28 25.52 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.845 -176.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -133.66 127.2 52.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -116.14 125.55 73.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.985 0.421 . . . . 0.0 110.629 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 C--N 1.323 -0.544 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.069 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.645 0.26 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.447 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 78.0 mt -127.41 125.11 65.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.406 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.444 HD12 ' N ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -134.86 130.45 52.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.662 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.444 ' N ' HD12 ' B' ' 32' ' ' ILE . . . -138.63 130.63 5.0 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.959 178.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.7 tp -112.43 126.23 55.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.813 0.34 . . . . 0.0 110.319 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 59.2 mtt -115.03 121.11 42.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.94 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.5 t -123.92 126.56 72.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.125 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.95 136.41 7.54 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.91 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.57 139.86 11.84 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.027 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -118.42 130.8 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.036 0.446 . . . . 0.0 110.566 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 73.2 t -125.78 114.44 39.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.877 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.53 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 55.1 mt -116.64 109.49 28.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.674 -178.001 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 24.4 p90 . . . . . 0 N--CA 1.448 -0.535 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -133.77 130.19 37.68 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 p -98.52 138.96 21.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.963 0.411 . . . . 0.0 110.48 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -127.46 136.23 51.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -148.7 135.82 20.11 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.818 0.342 . . . . 0.0 110.213 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -147.95 133.01 18.22 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -137.51 140.56 41.2 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -152.63 149.94 28.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.225 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -125.69 141.3 45.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.082 0.467 . . . . 0.0 110.52 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -126.5 129.4 48.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.818 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 21.8 p90 . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 121.027 0.442 . . . . 0.0 110.886 -178.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.795 0 N-CA-C 112.24 -0.344 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.88 131.61 35.47 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.655 0.264 . . . . 0.0 110.49 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 tt -131.3 139.14 51.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 120.911 0.386 . . . . 0.0 110.313 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 tt -131.7 133.29 61.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.454 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.405 ' O ' ' HA2' ' D' ' 37' ' ' GLY . . . -118.06 132.43 9.83 Favored Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 176.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 61.4 tp -123.83 128.39 49.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.847 0.356 . . . . 0.0 110.732 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 53.6 mtm -131.02 120.92 24.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.74 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -122.92 132.0 72.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.783 0.325 . . . . 0.0 110.517 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.48 130.91 5.57 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.75 154.24 25.45 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.874 -176.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 45.2 t -133.69 126.98 52.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.4 HG22 HG12 ' D' ' 31' ' ' ILE . 4.2 p -115.83 125.65 73.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.988 0.423 . . . . 0.0 110.747 177.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.959 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.61 0.243 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.53 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 77.8 mt -127.51 125.25 65.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.275 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.437 HD12 ' N ' ' D' ' 33' ' ' GLY . 0.0 OUTLIER -134.98 130.49 52.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.552 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . 0.437 ' N ' HD12 ' D' ' 32' ' ' ILE . . . -138.36 130.53 5.0 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.075 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 57.2 tp -112.38 126.37 55.21 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.757 0.313 . . . . 0.0 110.247 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 58.7 mtt -114.93 121.03 41.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.057 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.9 126.82 73.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.094 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' C' ' 33' ' ' GLY . . . -141.48 136.28 7.34 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.967 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.17 140.01 12.03 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.025 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.53 130.86 72.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.037 0.446 . . . . 0.0 110.664 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 69.5 t -125.76 114.32 38.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.958 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . 0.447 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 55.4 mt -116.55 109.34 27.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.682 -0.675 . . . . 0.0 109.622 -177.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.5 p90 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.75 0.309 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -131.33 144.35 51.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.402 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -126.89 130.79 71.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.075 0.464 . . . . 0.0 110.808 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -142.49 146.17 34.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.758 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -140.72 161.92 36.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.864 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -152.77 143.55 22.86 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -139.26 137.46 35.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.019 0.437 . . . . 0.0 110.79 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -134.77 134.3 40.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.0 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.2 m -125.39 135.68 63.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.07 0.462 . . . . 0.0 110.538 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -131.76 135.3 46.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.973 -178.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -134.71 129.97 35.55 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.724 0.297 . . . . 0.0 110.299 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.484 177.02 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 CA-C-O 120.816 0.12 . . . . 0.0 113.2 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.33 140.21 33.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.77 0.319 . . . . 0.0 110.786 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.06 133.84 68.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.431 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.0 mt -124.86 138.84 52.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.325 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.28 128.42 4.34 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.789 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.6 tp -120.94 123.15 41.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.752 0.31 . . . . 0.0 110.319 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.5 mmt -119.82 123.77 44.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.956 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 63.9 t -121.11 137.19 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.928 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.26 134.29 6.44 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.13 142.57 12.65 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.917 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.7 t -128.68 128.75 68.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.7 t -114.0 122.61 68.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.182 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.7 pt . . . . . 0 C--N 1.323 -0.587 0 CA-C-O 120.712 0.292 . . . . 0.0 110.493 178.062 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 121.038 0.447 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 75.1 mt -115.55 114.63 46.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.32 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.42 128.15 62.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 177.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.59 130.2 6.08 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.846 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 67.4 tp -121.16 127.09 51.2 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.0 mtt -124.3 120.72 33.0 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.817 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -120.88 128.11 76.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.082 0.467 . . . . 0.0 110.27 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.9 135.34 8.2 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.564 -0.826 . . . . 0.0 111.972 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.59 142.92 13.98 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.582 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 p -136.37 132.12 48.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.087 0.47 . . . . 0.0 110.808 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 49.7 t -118.21 113.65 42.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 55.7 mt -107.56 114.26 45.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.017 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.733 -0.651 . . . . 0.0 109.606 179.187 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 26.5 p90 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.909 0.385 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -131.12 144.27 51.27 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.443 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 17.6 m -126.63 131.4 71.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.003 0.43 . . . . 0.0 110.637 -177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -142.87 146.21 33.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.701 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -140.8 161.86 36.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.953 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -152.75 143.45 22.8 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -139.13 137.69 36.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.931 0.396 . . . . 0.0 110.81 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -135.15 133.7 39.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.001 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 m -124.57 136.33 60.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.094 0.473 . . . . 0.0 110.512 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -132.19 135.39 46.3 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.986 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 82.8 t80 . . . . . 0 C--N 1.321 -0.641 0 CA-C-O 120.782 0.325 . . . . 0.0 110.396 177.366 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 120.879 0.155 . . . . 0.0 113.161 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.97 140.45 34.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.696 0.284 . . . . 0.0 110.851 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.32 133.57 68.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.552 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 55.0 mt -124.63 138.92 52.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.402 -177.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.38 128.1 4.21 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.713 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 59.8 tp -120.69 123.17 42.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.668 0.27 . . . . 0.0 110.422 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 23.6 mmt -120.04 123.3 43.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.031 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 62.9 t -120.63 137.38 54.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.011 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.46 134.67 6.6 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.35 142.43 12.43 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.854 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.49 128.65 68.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 58.8 t -113.82 122.76 68.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.191 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 25.2 pt . . . . . 0 C--N 1.321 -0.655 0 CA-C-O 120.665 0.269 . . . . 0.0 110.545 178.018 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 121.103 0.477 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 76.4 mt -115.79 114.64 46.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.226 178.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.5 128.07 62.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 177.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.55 129.98 6.01 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.956 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 66.6 tp -120.92 126.75 50.8 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.834 0.349 . . . . 0.0 110.23 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.1 mtt -123.83 120.97 34.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.818 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 m -121.03 127.81 75.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.969 0.414 . . . . 0.0 110.278 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.76 135.44 8.27 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.938 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.02 143.36 14.33 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.495 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 6.8 p -136.7 132.1 47.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.145 0.497 . . . . 0.0 110.853 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 50.7 t -118.2 113.45 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt -107.61 114.47 46.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.977 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.701 -0.666 . . . . 0.0 109.519 179.473 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.5 p90 . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 120.693 0.282 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -110.17 138.88 45.94 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.437 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.1 t -112.98 113.78 45.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -114.38 137.18 52.14 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -152.19 144.23 23.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.879 0.371 . . . . 0.0 111.013 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -146.1 150.54 36.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.206 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -136.01 126.69 27.21 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -122.93 125.97 46.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.175 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.9 t -128.04 122.71 58.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -111.96 136.61 51.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.066 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.61 121.53 45.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.705 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.963 176.577 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.7 131.01 19.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.087 0.47 . . . . 0.0 111.325 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.7 tt -125.32 132.37 71.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.614 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 tt -134.37 127.11 50.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.988 0.423 . . . . 0.0 110.967 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.2 135.62 8.72 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 tp -135.29 125.99 27.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.761 0.315 . . . . 0.0 110.267 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.6 ttt -121.1 132.74 55.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.287 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -123.12 131.39 73.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.997 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.47 130.78 5.96 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.39 155.26 25.11 Favored Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.063 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.62 129.27 75.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -105.21 110.18 30.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.849 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.6 mt . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.087 -178.832 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 64.1 mt -117.56 112.88 40.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.849 0.357 . . . . 0.0 110.736 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -111.78 154.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.13 131.63 3.77 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.229 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 75.9 mt -107.57 126.17 52.21 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 61.1 mtm -113.23 121.57 44.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.483 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 57.8 t -132.71 126.87 55.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.097 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.29 167.96 29.02 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.769 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.45 142.23 9.16 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.189 -0.529 . . . . 0.0 111.995 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.64 131.19 73.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 82.6 t -125.43 113.82 36.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 176.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 65.0 mt -111.8 109.47 28.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.04 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.473 -0.775 . . . . 0.0 109.792 -177.529 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 45.4 p90 . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.696 0.284 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -110.41 138.64 46.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.454 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.55 113.75 45.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -114.16 137.66 51.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.941 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -153.0 143.61 22.71 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.671 0.272 . . . . 0.0 110.891 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -145.95 150.5 36.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.059 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -135.97 126.59 27.11 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -122.81 125.85 46.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.169 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -127.9 122.62 59.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -111.9 136.55 51.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.115 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.682 -179.047 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.66 131.2 19.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.075 0.464 . . . . 0.0 111.276 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 9.5 tt -125.69 132.05 71.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.661 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 tt -134.22 126.95 50.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.167 0.508 . . . . 0.0 111.037 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.25 135.71 8.75 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.619 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 58.9 tp -135.23 125.89 27.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.623 0.249 . . . . 0.0 110.345 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 26.7 ttt -121.01 132.96 55.22 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.289 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -123.39 131.34 73.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.04 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.41 130.61 5.92 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.23 155.25 25.03 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.977 -176.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.37 129.39 75.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.49 109.86 29.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.83 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 59.7 mt . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.099 -179.035 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 63.4 mt -117.53 112.67 39.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.945 0.402 . . . . 0.0 110.83 -175.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -111.62 155.02 13.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.28 131.46 3.69 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.243 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 76.6 mt -107.51 126.35 52.42 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.9 mtm -113.39 121.53 44.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.478 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.59 126.69 55.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.11 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.93 167.75 28.82 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.882 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.13 142.53 9.47 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.942 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 26.1 t -123.94 131.23 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 81.4 t -125.4 113.88 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.694 0.283 . . . . 0.0 110.278 176.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 64.6 mt -111.64 109.58 29.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.094 177.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.669 -177.572 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.42 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 44.1 p90 . . . . . 0 N--CA 1.451 -0.402 0 CA-C-O 121.097 0.475 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -138.93 144.94 39.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.715 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.8 m -107.25 134.46 48.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.308 0.575 . . . . 0.0 110.935 -176.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -130.31 145.78 51.82 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.454 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -154.93 148.61 25.42 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.97 0.414 . . . . 0.0 111.113 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -133.2 134.04 43.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.398 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -139.87 137.13 34.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.864 0.364 . . . . 0.0 110.957 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.7 mt -137.28 121.42 17.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.976 177.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -112.81 116.82 53.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -119.46 133.61 55.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.249 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -133.75 128.83 35.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.918 0.389 . . . . 0.0 110.237 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.34 -178.73 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.65 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.53 130.43 47.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.934 0.397 . . . . 0.0 111.166 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.1 tt -122.57 130.36 74.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.235 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.4 mt -122.53 121.61 64.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.502 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.87 128.18 7.78 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 176.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.9 tp -137.01 125.02 22.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.793 0.297 . . . . 0.0 110.476 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.6 ptp -143.98 141.18 30.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.721 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.08 136.36 33.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.506 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.58 135.65 10.64 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.817 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.74 141.33 12.67 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.509 -0.636 . . . . 0.0 111.509 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -129.01 131.72 67.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 117.049 0.424 . . . . 0.0 110.957 -176.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 59.9 t -91.96 110.8 23.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 174.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--N 1.324 -0.518 0 CA-C-O 120.689 0.28 . . . . 0.0 111.523 -174.104 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.872 0.368 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.491 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 38.0 mm -119.69 112.34 36.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.828 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -116.36 155.02 17.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.89 138.02 5.93 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.841 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.02 125.95 34.65 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 51.0 ttm -115.81 132.81 56.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.006 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.6 t -125.09 127.12 72.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.596 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.59 146.35 18.3 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.948 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.2 139.77 7.91 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.264 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -129.57 130.06 66.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 47.6 t -125.96 117.45 48.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 54.8 mt -116.64 123.11 71.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.959 177.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.778 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.942 -179.589 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' C' ' 40' ' ' VAL . 43.7 p90 . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 120.981 0.42 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -138.89 144.99 39.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.822 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 23.5 m -107.26 134.21 49.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.315 0.578 . . . . 0.0 111.009 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -130.03 146.71 51.72 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -155.7 148.52 24.23 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.802 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -133.5 134.06 42.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.529 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -139.69 136.92 34.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.807 0.337 . . . . 0.0 110.938 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 95.8 mt -137.16 121.18 17.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.018 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 60.7 t -112.66 117.02 54.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -119.6 133.62 55.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.239 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 p90 . . . . . 0 C--N 1.319 -0.72 0 CA-C-O 121.107 0.479 . . . . 0.0 110.313 178.031 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.0 130.65 48.67 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.921 0.391 . . . . 0.0 111.138 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 12.2 tt -122.73 130.15 74.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.121 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 73.5 mt -122.43 121.85 64.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.422 -177.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 127.96 7.63 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 61.9 tp -136.81 125.08 23.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.737 0.303 . . . . 0.0 110.439 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 23.5 ptp -143.92 141.15 30.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.753 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 7.7 p -141.22 136.46 33.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.377 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.76 135.8 10.66 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.795 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.95 141.47 12.81 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 47.7 t -129.09 131.66 67.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' C' ' 10' ' ' TYR . 60.3 t -91.94 110.93 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 174.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 60.6 mt . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 120.475 0.179 . . . . 0.0 111.376 -174.193 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.237 0 CA-C-O 120.699 0.285 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 38.3 mm -119.94 112.26 36.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.868 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -116.3 155.21 17.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.758 0.313 . . . . 0.0 111.05 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.13 138.01 5.89 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.112 -0.566 . . . . 0.0 111.842 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.15 126.12 34.83 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 50.6 ttm -115.95 132.94 56.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 46.9 t -125.31 126.88 71.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.672 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.39 146.46 18.37 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.725 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.37 139.46 7.66 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.208 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -129.34 130.18 67.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -125.9 117.43 48.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . 0.491 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 54.7 mt -116.59 123.28 71.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.011 177.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.016 -179.338 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.7 p90 . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -135.07 134.62 40.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.98 -178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 p -94.88 136.89 24.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.279 0.561 . . . . 0.0 111.02 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -125.03 152.38 44.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.181 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -144.95 149.05 34.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.83 0.348 . . . . 0.0 110.732 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -143.09 132.08 22.94 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -132.17 138.95 48.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.901 0.382 . . . . 0.0 110.456 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.8 mt -134.31 128.16 33.21 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.67 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.8 m -122.11 132.0 71.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.968 0.413 . . . . 0.0 110.918 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.448 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 62.4 m-85 -123.55 131.07 53.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.854 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -124.0 111.34 15.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.132 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.866 -178.729 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.803 0 N-CA-C 112.342 -0.303 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.32 128.97 56.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.886 0.374 . . . . 0.0 110.134 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 59.8 mt -129.98 120.36 49.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.144 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.448 ' HB ' ' HB2' ' A' ' 19' ' ' PHE . 70.7 mt -117.8 123.31 71.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.197 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.18 127.23 6.56 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.643 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.4 mt -124.39 126.04 45.3 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtt -132.19 117.95 18.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.997 0.427 . . . . 0.0 110.827 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -116.36 131.77 67.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.475 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.81 130.8 7.56 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.29 164.53 26.22 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.369 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.6 t -138.66 127.27 29.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.751 0.31 . . . . 0.0 110.346 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 p -97.17 113.2 30.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.304 0.573 . . . . 0.0 109.822 174.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.0 mt . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.02 -178.389 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 66.7 mt -120.36 113.03 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -117.07 155.75 18.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.929 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.37 130.45 3.08 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.005 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 62.7 tp -107.11 127.38 53.44 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 63.2 mtt -111.16 122.05 46.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.54 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 64.5 t -127.38 126.25 67.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 175.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . 0.441 ' O ' HD11 ' D' ' 34' ' ' LEU . . . -141.34 154.33 24.54 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.092 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.65 139.46 9.71 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.858 -0.686 . . . . 0.0 111.833 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 60.1 t -123.65 129.57 74.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.49 113.74 34.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.696 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 59.5 mt -116.85 109.16 26.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.71 0.291 . . . . 0.0 110.239 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.785 178.621 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 22.0 p90 . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -135.45 135.07 40.24 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.875 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 12.1 p -95.49 136.83 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.293 0.568 . . . . 0.0 110.951 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -125.06 153.11 43.4 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.059 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -146.0 148.67 32.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.936 0.398 . . . . 0.0 110.7 177.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -142.84 132.12 23.37 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -132.11 138.66 48.18 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.76 0.314 . . . . 0.0 110.484 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -133.93 128.31 34.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.774 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 15.8 m -122.13 132.03 71.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.977 0.418 . . . . 0.0 110.955 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.459 ' HB2' ' HB ' ' C' ' 32' ' ' ILE . 61.5 m-85 -123.62 130.81 53.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.945 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.218 -179.376 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.824 0 N-CA-C 112.34 -0.304 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.39 128.83 56.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.927 0.394 . . . . 0.0 110.175 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 60.0 mt -130.01 120.3 49.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.168 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.459 ' HB ' ' HB2' ' C' ' 19' ' ' PHE . 70.0 mt -117.75 123.11 71.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.223 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.23 126.97 6.45 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.665 -0.778 . . . . 0.0 111.643 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 69.1 mt -124.14 126.57 46.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtt -133.04 117.49 17.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.014 0.435 . . . . 0.0 110.888 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 41.6 t -115.96 131.92 67.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.378 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.81 130.46 7.43 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 175.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.99 164.57 26.11 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.31 -0.947 . . . . 0.0 112.414 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 62.4 t -138.52 127.49 31.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.684 0.278 . . . . 0.0 110.307 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 p -97.28 112.99 30.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.291 0.567 . . . . 0.0 109.895 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 52.7 mt . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.109 -178.295 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.736 0.303 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 67.4 mt -120.68 112.76 37.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 176.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -116.89 155.82 18.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.988 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.06 130.64 3.16 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.11 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.441 HD11 ' O ' ' B' ' 37' ' ' GLY . 63.1 tp -107.21 127.58 53.65 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 63.3 mtt -111.16 122.24 47.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.485 -177.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 66.3 t -127.93 125.85 65.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.97 154.72 24.6 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.229 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.9 139.65 9.8 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.973 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 58.0 t -123.65 129.42 74.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 62.1 t -126.23 113.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.792 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 59.7 mt -116.65 109.14 26.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.703 0.287 . . . . 0.0 110.288 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.238 -0.886 . . . . 0.0 109.915 178.756 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.1 p90 . . . . . 0 N--CA 1.451 -0.384 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -105.62 149.02 26.69 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 m -116.59 133.88 61.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.222 0.534 . . . . 0.0 111.061 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -116.55 134.59 54.66 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.486 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 50.2 t60 -164.62 136.46 4.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -157.03 137.83 13.32 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.975 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -126.04 126.94 45.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -134.15 136.85 44.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.769 0.319 . . . . 0.0 111.174 -174.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.0 t -131.21 119.27 43.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.573 176.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -113.23 141.54 46.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.043 0.449 . . . . 0.0 110.9 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -94.69 127.67 40.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.583 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.904 -179.017 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.55 129.35 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.972 0.415 . . . . 0.0 110.559 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -124.11 123.9 67.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.893 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.8 pt -112.32 122.51 66.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.047 0.451 . . . . 0.0 110.453 177.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.41 129.11 7.02 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.869 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -133.95 139.56 46.19 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ptm -141.65 136.87 31.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.855 0.36 . . . . 0.0 110.703 176.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 14' ' ' HIS . 60.8 t -130.36 139.68 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.416 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.08 134.47 6.17 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.81 164.67 31.33 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.47 -0.871 . . . . 0.0 113.084 -177.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.36 130.47 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 122.615 0.366 . . . . 0.0 110.242 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.17 106.55 20.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.067 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 56.2 mt . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.526 -178.536 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 CA-C-O 121.056 0.455 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 65.8 mt -127.98 112.69 28.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.741 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.19 131.32 72.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.38 131.25 4.95 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.815 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.5 mt -115.38 143.93 44.55 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ptm -135.83 139.02 43.12 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.088 0.47 . . . . 0.0 110.889 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 11.9 p -149.15 147.16 16.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.899 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.77 176.7 41.18 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.273 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.83 147.0 16.3 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.159 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 58.3 t -122.86 129.85 74.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -125.54 115.77 44.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.132 0.492 . . . . 0.0 110.642 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.451 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 52.9 mt -117.68 123.0 71.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.477 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.322 -0.847 . . . . 0.0 109.907 176.855 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 53.3 p90 . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -105.41 149.15 26.38 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 m -116.51 134.08 61.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.186 0.517 . . . . 0.0 111.075 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -116.57 134.68 54.55 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 50.1 t60 -164.57 136.49 4.53 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -157.01 137.84 13.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.036 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -126.1 126.68 44.58 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -133.77 137.2 45.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.774 0.321 . . . . 0.0 111.255 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 91.6 t -131.64 118.84 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.738 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -112.91 141.7 46.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.145 0.498 . . . . 0.0 110.901 -177.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 p90 . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.509 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.58 129.37 51.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 110.456 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -124.13 123.74 67.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 32.3 pt -112.4 122.52 66.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.023 0.44 . . . . 0.0 110.428 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.39 129.55 7.19 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.798 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 70.7 mt -134.28 139.64 45.87 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -177.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ptm -141.66 137.03 31.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.487 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' C' ' 14' ' ' HIS . 60.1 t -130.46 139.54 51.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.344 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.7 135.0 6.51 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 177.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.52 164.44 31.59 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.232 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 57.4 t -125.88 130.56 72.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 122.519 0.328 . . . . 0.0 110.299 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 58.9 t -110.05 106.51 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.178 179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 55.6 mt . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.527 -178.703 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.466 0 CA-C-O 121.023 0.439 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.451 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 65.9 mt -128.12 112.74 27.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.668 176.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.24 131.51 71.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.52 131.34 4.96 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.951 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -115.56 143.61 45.08 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ptm -135.58 139.15 43.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 11.9 p -149.19 146.92 16.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.944 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.69 177.04 41.06 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.377 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.08 146.95 16.16 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.207 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.91 129.88 74.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 m -125.66 115.64 43.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.073 0.463 . . . . 0.0 110.663 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 52.8 mt -117.73 123.19 71.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.497 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.973 176.861 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 p90 . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 120.782 0.325 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -145.19 136.83 25.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.511 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.2 m -98.06 152.32 4.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -135.0 147.53 49.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.627 0.251 . . . . 0.0 110.608 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -154.96 141.26 18.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.547 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -154.95 154.58 32.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.102 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -141.77 140.66 33.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.251 179.459 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.6 mt -134.29 135.42 42.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.029 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -124.88 125.24 69.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.868 0.366 . . . . 0.0 110.613 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.463 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 68.6 m-85 -115.04 142.38 46.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.67 177.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -134.74 133.31 39.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.317 -175.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.314 -177.66 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.672 0 N-CA-C 112.318 -0.313 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.3 129.47 56.27 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.826 0.346 . . . . 0.0 110.621 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.7 mt -115.36 117.99 57.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.849 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.463 ' HB ' ' HB2' ' A' ' 19' ' ' PHE . 50.7 mt -113.01 115.04 48.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.106 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.8 128.14 7.88 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.27 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -121.23 127.14 51.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.692 0.282 . . . . 0.0 110.283 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 85.1 mtp -123.8 120.95 34.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.404 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -119.28 134.01 64.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.767 0.318 . . . . 0.0 110.693 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.91 137.63 6.18 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.22 171.29 38.07 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.116 -1.04 . . . . 0.0 112.835 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.1 t -127.31 128.3 70.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t -112.39 109.45 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.328 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.3 mt . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.954 177.845 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 120.853 0.358 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.528 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 48.3 mm -119.58 112.76 38.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.34 133.86 49.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.944 0.402 . . . . 0.0 110.386 -178.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.55 132.92 5.34 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.965 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -118.79 132.04 56.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.81 0.338 . . . . 0.0 110.285 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ttt -128.43 121.92 30.11 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 50.9 t -109.21 126.33 66.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.12 135.64 8.93 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.471 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.66 139.95 10.11 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.373 -0.918 . . . . 0.0 112.297 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 27.0 m -121.82 131.23 73.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.105 0.478 . . . . 0.0 110.699 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -124.72 113.6 36.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.642 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 70.6 mt -113.93 110.58 32.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.387 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.775 179.143 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 42.8 p90 . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.952 0.405 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -146.0 136.4 23.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.499 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 17.5 m -97.25 152.34 4.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.373 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -135.16 147.26 49.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.605 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -154.57 141.61 19.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.52 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -155.16 154.58 32.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.124 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' C' ' 16' ' ' LYS . 0.0 OUTLIER -141.76 140.37 33.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.483 179.456 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 91.1 mt -134.08 135.48 43.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.913 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -125.07 125.69 69.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.883 0.373 . . . . 0.0 110.422 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.451 ' HB2' ' HB ' ' C' ' 32' ' ' ILE . 68.9 m-85 -115.59 142.39 46.8 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 177.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 58.4 t80 . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.276 -175.757 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 112.197 -0.361 . . . . 0.0 112.197 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.19 129.59 56.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.897 0.379 . . . . 0.0 110.649 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 47.1 mt -115.42 117.68 56.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.901 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.451 ' HB ' ' HB2' ' C' ' 19' ' ' PHE . 51.1 mt -112.85 115.13 48.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.044 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.91 128.24 7.92 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.372 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -121.45 126.79 50.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.683 0.278 . . . . 0.0 110.37 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 85.9 mtp -123.54 121.04 34.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.423 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -119.38 134.05 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.734 0.302 . . . . 0.0 110.642 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.74 137.49 6.12 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.15 171.29 38.01 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.803 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 46.9 t -127.18 128.51 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 88.7 t -112.63 109.51 28.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.266 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 41.1 mt . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.027 177.919 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 120.767 0.318 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 mm -119.71 112.8 38.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.56 133.76 49.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.939 0.4 . . . . 0.0 110.376 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.52 133.16 5.46 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.754 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 89.5 mt -119.16 131.98 55.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.862 0.363 . . . . 0.0 110.175 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ttt -128.38 121.91 30.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 51.0 t -109.09 126.24 66.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.07 135.54 8.88 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.375 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.67 139.79 9.97 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.353 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -121.77 131.31 73.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.06 0.457 . . . . 0.0 110.596 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -124.8 113.54 36.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.768 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . 0.528 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 70.3 mt -113.99 110.74 33.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.487 -0.768 . . . . 0.0 109.839 179.097 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.1 p90 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -113.42 145.23 41.48 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -124.8 113.89 38.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.16 0.505 . . . . 0.0 110.486 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -117.93 134.3 55.09 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -151.23 136.8 17.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.93 0.395 . . . . 0.0 110.851 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -138.63 172.99 12.06 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.71 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -146.75 157.72 43.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.909 0.385 . . . . 0.0 110.221 177.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.8 tp -139.57 132.4 29.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.863 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 p -134.22 124.74 46.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.014 0.435 . . . . 0.0 109.971 177.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -132.1 130.51 41.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.391 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -111.41 129.59 55.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.204 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 177.092 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.745 0 N-CA-C 111.685 -0.566 . . . . 0.0 111.685 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.47 129.27 56.09 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.003 0.43 . . . . 0.0 110.891 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.3 mt -112.93 115.44 49.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.176 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 32' ' ' ILE . 3.5 mp -102.85 115.07 44.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.36 135.42 10.93 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.105 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 tp -143.34 143.24 31.58 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ttt -145.25 122.88 11.79 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 175.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.1 t -124.51 136.36 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.922 0.392 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.51 133.9 6.82 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.41 138.41 10.48 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.456 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.8 t -113.76 122.26 67.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.4 t -109.01 109.5 28.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--N 1.324 -0.543 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.052 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.149 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 68.4 mt -124.77 120.98 60.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.8 0.334 . . . . 0.0 110.494 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.33 131.16 69.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.117 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.59 131.05 6.35 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.028 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.0 mt -107.57 135.73 48.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.817 0.341 . . . . 0.0 110.145 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 67.9 mtm -124.58 121.22 34.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.168 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -124.85 135.37 64.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.09 176.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.78 165.94 31.73 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.34 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.18 141.44 6.9 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.695 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.3 130.19 74.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -122.06 115.27 45.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.899 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 53.2 mt -108.6 108.98 26.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.006 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.913 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 46.9 p90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -113.49 145.28 41.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -124.57 113.52 36.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.964 0.411 . . . . 0.0 110.572 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -117.41 134.63 54.62 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -151.61 136.87 17.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.812 0.339 . . . . 0.0 110.803 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -138.67 173.46 11.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.706 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -147.16 157.66 43.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.823 0.344 . . . . 0.0 110.187 177.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 tp -139.58 132.64 29.55 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.817 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 p -134.58 124.41 44.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.236 0.541 . . . . 0.0 110.117 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -131.85 130.58 41.89 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.411 -177.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 90.3 t80 . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.064 177.37 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.726 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.56 129.25 56.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.001 0.429 . . . . 0.0 110.878 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 84.1 mt -113.01 115.51 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.215 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.409 ' N ' HD12 ' C' ' 32' ' ' ILE . 3.5 mp -102.78 114.96 43.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.3 135.4 10.94 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.068 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 tp -143.33 143.34 31.64 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ttt -145.32 122.81 11.7 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 175.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.62 136.12 61.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.822 0.344 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.54 133.5 6.59 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.38 138.7 10.87 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.464 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 44.9 t -114.2 122.33 68.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 61.7 t -109.04 109.49 28.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.994 -177.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--N 1.322 -0.595 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.065 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.148 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 68.4 mt -124.77 121.18 60.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.695 0.283 . . . . 0.0 110.453 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.63 130.96 69.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.009 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.37 131.06 6.4 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.192 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -107.52 135.78 48.4 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtm -124.57 121.22 34.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.204 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 28.5 m -124.89 135.32 64.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 176.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.02 165.81 31.81 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.361 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.98 141.29 6.82 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.694 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -120.4 129.99 74.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 59.2 t -121.85 115.52 46.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.94 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 53.9 mt -108.8 109.32 27.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.559 -0.734 . . . . 0.0 110.127 179.884 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.504 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 47.5 p90 . . . . . 0 N--CA 1.447 -0.588 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -133.19 129.22 37.49 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.061 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.8 m -103.73 122.5 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.311 0.577 . . . . 0.0 110.604 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -115.48 135.78 53.75 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.135 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -142.16 136.08 29.62 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.091 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -140.75 143.35 34.9 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.073 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -140.19 128.4 22.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.076 0.465 . . . . 0.0 110.721 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.8 mt -130.49 127.76 39.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.985 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.6 t -128.01 121.99 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.995 0.426 . . . . 0.0 110.274 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -124.37 139.61 53.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.99 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -127.87 140.04 52.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.932 0.396 . . . . 0.0 111.045 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.733 176.755 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.21 134.84 33.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.828 0.347 . . . . 0.0 110.447 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tt -125.15 130.67 73.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.206 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.4 pt -118.6 132.37 68.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.881 -177.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.61 127.56 6.04 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.399 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.5 mt -126.98 135.54 51.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.8 ttm -139.81 126.59 20.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.14 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.6 t -124.76 133.8 68.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.469 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.83 130.16 6.2 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.6 149.72 20.48 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.131 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.5 t -125.26 120.12 57.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.851 0.358 . . . . 0.0 110.246 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.504 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 61.4 t -94.6 106.33 18.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.631 176.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.4 mt . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.545 -177.126 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.131 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 61.1 mt -122.6 122.49 66.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.783 0.325 . . . . 0.0 110.472 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pp -117.41 153.08 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.526 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.52 130.09 3.82 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.081 -0.581 . . . . 0.0 111.846 176.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -111.41 125.35 53.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 63.3 mtm -119.22 122.42 41.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.436 -176.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 13.8 p -132.25 141.34 45.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.907 0.384 . . . . 0.0 110.244 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.19 151.54 23.13 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.195 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.07 147.06 19.02 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.855 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 p -139.45 130.18 32.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.941 0.401 . . . . 0.0 110.796 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -127.53 125.04 64.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.156 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 12.9 tt -117.71 124.49 73.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.972 0.415 . . . . 0.0 110.735 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.707 179.341 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . 0.502 ' HA ' ' O ' ' C' ' 40' ' ' VAL . 47.9 p90 . . . . . 0 N--CA 1.448 -0.531 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -133.19 129.36 37.69 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 m -103.72 122.11 56.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.465 0.65 . . . . 0.0 110.804 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -114.98 135.77 53.85 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.179 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -142.15 136.62 30.2 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.987 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -141.15 143.5 34.29 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.115 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -140.52 128.09 21.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 88.4 mt -130.25 127.82 40.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.998 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -128.37 121.7 56.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.287 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -124.1 139.62 53.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.982 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 p90 . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 121.216 0.531 . . . . 0.0 111.241 179.652 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.785 0 N-CA-C 112.587 -0.205 . . . . 0.0 112.587 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.83 134.78 33.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.747 0.308 . . . . 0.0 110.369 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tt -124.91 130.74 73.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.144 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 24.0 pt -118.7 132.35 68.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.828 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.47 127.4 6.02 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.535 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -126.72 135.43 51.1 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 49.6 ttm -139.66 126.59 20.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.865 0.364 . . . . 0.0 110.176 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 81.7 t -124.72 133.54 69.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.433 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.34 130.15 6.29 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.43 150.15 20.62 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.151 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -125.6 120.12 56.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.757 0.313 . . . . 0.0 110.252 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' C' ' 10' ' ' TYR . 61.3 t -94.76 106.23 17.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.617 176.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 60.9 mt . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.627 -177.082 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.608 0.242 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 61.5 mt -122.54 122.51 66.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.763 0.316 . . . . 0.0 110.568 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pp -117.41 152.94 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.509 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.28 130.34 3.94 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 121.126 -0.559 . . . . 0.0 111.892 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 92.3 mt -111.67 125.66 54.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 64.1 mtm -119.67 122.27 41.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.475 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 13.9 p -131.97 141.81 44.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.784 0.326 . . . . 0.0 110.261 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.4 152.17 23.69 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.227 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.38 147.02 18.99 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.922 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 p -139.49 130.13 32.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.993 0.425 . . . . 0.0 110.919 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 p -127.45 124.92 64.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.221 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 tt -117.68 124.28 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.088 0.471 . . . . 0.0 110.891 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.676 179.478 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.2 p90 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.47 ' O ' ' HA ' ' A' ' 39' ' ' VAL . 42.6 mt-10 -118.46 136.47 53.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.6 176.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.8 p -118.32 118.43 58.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.416 0.627 . . . . 0.0 110.146 175.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -116.65 151.87 35.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.353 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -139.32 146.57 40.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 0.0 111.072 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -138.98 134.26 32.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.56 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -131.74 128.16 38.31 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.823 0.344 . . . . 0.0 111.144 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.1 mt -125.07 130.78 52.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.019 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -136.19 117.54 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.261 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -131.93 137.95 48.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -134.7 145.17 48.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.683 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.353 178.394 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.19 137.62 32.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.829 0.347 . . . . 0.0 110.852 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.7 tt -138.29 140.15 40.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.514 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.3 pt -115.66 144.58 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.399 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.13 131.37 5.8 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.8 tp -133.24 131.99 40.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.703 0.287 . . . . 0.0 110.773 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.8 ttm -131.66 126.33 34.37 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.951 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 39.8 t -115.24 138.62 44.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.137 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.26 131.36 5.52 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.83 138.79 9.67 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.653 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 11' ' ' GLU . 68.8 t -126.01 124.14 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.83 112.47 40.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.25 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.5 mt . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.547 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 69.2 mt -120.83 117.22 52.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.787 0.327 . . . . 0.0 110.5 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.53 126.05 74.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.65 130.53 5.4 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.402 HD11 ' O ' ' B' ' 34' ' ' LEU . 4.0 pp -126.04 145.74 50.19 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.114 0.483 . . . . 0.0 111.034 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 65.5 mtm -126.54 121.37 32.1 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.357 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.82 126.14 73.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.0 143.75 14.49 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.217 -177.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.82 140.38 10.69 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.958 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 52.7 t -127.42 130.47 70.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 178.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -125.38 125.88 69.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.195 0.521 . . . . 0.0 110.548 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mt -112.3 109.6 29.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.945 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.838 -177.339 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 37.2 p90 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' C' ' 39' ' ' VAL . 42.6 mt-10 -118.32 136.3 53.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.563 176.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 p -118.0 118.53 58.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.354 0.597 . . . . 0.0 110.066 175.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -116.68 151.73 35.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.444 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -138.81 146.97 41.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.364 . . . . 0.0 111.076 -178.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -139.27 134.14 32.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.54 177.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -131.61 128.12 38.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.893 0.378 . . . . 0.0 111.173 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 95.1 mt -125.05 131.08 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.972 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -136.55 117.52 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.171 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -132.0 138.11 48.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.07 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 41.6 p90 . . . . . 0 C--N 1.321 -0.647 0 CA-C-O 120.98 0.419 . . . . 0.0 110.848 -178.819 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.398 0 N-CA-C 112.678 -0.169 . . . . 0.0 112.678 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.99 137.61 33.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.604 -0.35 . . . . 0.0 110.732 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 8.8 tt -138.34 140.19 40.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.42 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 32.3 pt -115.67 144.69 22.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.427 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.04 131.65 5.93 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.61 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 57.5 tp -133.33 131.98 40.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.809 0.338 . . . . 0.0 110.756 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 47.2 ttm -131.79 126.27 33.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.085 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 39.9 t -115.16 138.55 45.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.216 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.06 131.37 5.55 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.07 138.58 9.47 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.625 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' C' ' 11' ' ' GLU . 67.3 t -125.79 124.41 66.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.908 0.385 . . . . 0.0 110.136 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 79.7 t -111.1 112.48 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.222 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 25.7 mt . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.667 -179.54 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -120.74 117.28 52.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.447 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.54 125.96 74.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.56 130.39 5.37 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.403 ' O ' HD11 ' D' ' 34' ' ' LEU . 4.0 pp -126.13 145.67 50.26 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.138 0.494 . . . . 0.0 110.915 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 67.4 mtm -126.48 121.37 32.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.332 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -115.81 126.31 73.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.16 143.88 14.6 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.289 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.07 140.33 10.58 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.9 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 56.6 t -127.56 130.55 70.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 p -125.4 125.77 69.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.317 0.579 . . . . 0.0 110.589 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 49.6 mt -111.84 109.87 30.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.024 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.342 -0.837 . . . . 0.0 109.962 -177.501 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.8 t80 . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 34.7 mt-10 -142.71 150.12 39.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.957 0.408 . . . . 0.0 110.806 177.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -112.0 113.95 45.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.336 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -116.18 135.02 54.29 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -161.15 136.17 7.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.079 0.466 . . . . 0.0 110.632 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -125.83 145.01 50.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.836 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -146.79 132.8 19.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.974 0.416 . . . . 0.0 110.85 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.8 tp -143.74 120.77 11.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.317 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -117.32 127.84 74.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -136.4 139.54 42.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.077 0.465 . . . . 0.0 110.677 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -110.85 131.05 55.38 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.533 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.675 0 CA-C-O 121.043 0.449 . . . . 0.0 110.704 -179.042 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.31 129.42 55.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.345 0.593 . . . . 0.0 111.773 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 mm -113.61 122.61 68.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.344 -0.844 . . . . 0.0 108.935 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.1 tt -129.45 130.54 67.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.414 0.626 . . . . 0.0 111.514 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.45 129.27 5.63 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.392 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.6 mt -120.72 127.17 51.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.787 0.327 . . . . 0.0 110.222 -178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.0 mtm -135.53 133.5 38.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.747 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.04 131.72 67.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.975 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.39 135.58 8.66 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.509 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.13 137.94 8.74 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.018 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.9 t -105.65 117.53 51.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.413 ' HB ' ' HB2' ' A' ' 11' ' ' GLU . 50.4 t -107.5 105.6 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.985 -176.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.4 mt . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.232 175.032 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 62.9 mt -125.44 113.37 34.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.711 0.291 . . . . 0.0 110.407 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 pp -116.26 154.26 17.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.616 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.87 130.85 3.75 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.96 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 48.5 tp -118.54 125.17 49.27 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.915 0.388 . . . . 0.0 110.1 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.2 mtm -112.09 121.32 44.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.948 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.2 t -127.04 126.61 68.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.812 0.339 . . . . 0.0 110.227 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.56 135.51 7.64 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.51 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.63 139.42 11.12 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.428 -0.892 . . . . 0.0 112.181 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 40.0 t -128.0 130.44 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.935 0.398 . . . . 0.0 110.228 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 98.7 t -119.93 115.95 48.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.716 176.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 63.4 mt -112.34 109.18 27.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.929 0.395 . . . . 0.0 110.458 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.687 178.656 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 76.5 t80 . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.41 ' HB2' ' HB ' ' C' ' 40' ' ' VAL . 35.2 mt-10 -142.47 149.86 39.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.903 0.383 . . . . 0.0 111.029 177.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -111.58 114.19 46.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.321 175.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -116.44 134.63 54.64 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -160.75 136.36 8.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.126 0.489 . . . . 0.0 110.74 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -125.77 145.39 50.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.811 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -147.32 132.42 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.975 0.417 . . . . 0.0 110.85 -177.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 60.7 tp -143.72 120.7 11.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.387 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.9 t -117.01 127.84 74.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -136.41 139.64 42.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.033 0.444 . . . . 0.0 110.73 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.526 177.618 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.47 129.3 55.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.414 0.626 . . . . 0.0 111.643 -175.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 14.9 mm -113.66 122.76 68.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.786 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 tt -129.82 130.61 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.465 0.65 . . . . 0.0 111.528 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.8 128.93 5.47 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.395 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 75.7 mt -120.44 127.22 52.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.765 0.317 . . . . 0.0 110.237 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 71.4 mtm -135.47 133.55 38.64 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.594 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 59.6 t -129.14 131.74 67.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.938 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.41 135.71 8.72 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.657 -0.783 . . . . 0.0 111.272 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.42 138.0 8.71 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.193 -1.003 . . . . 0.0 113.008 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 83.3 t -105.75 117.79 52.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.41 ' HB ' ' HB2' ' C' ' 11' ' ' GLU . 50.6 t -107.57 105.66 19.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -176.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 65.9 mt . . . . . 0 C--N 1.323 -0.587 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 174.869 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.14 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 63.2 mt -125.45 113.61 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.805 0.336 . . . . 0.0 110.329 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 pp -116.4 154.56 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.638 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.11 131.55 3.99 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.871 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 48.7 tp -119.32 125.15 48.37 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.924 0.392 . . . . 0.0 110.057 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.1 mtm -112.06 121.35 44.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.023 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 46.1 t -126.87 126.66 68.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.227 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.62 135.67 7.73 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.474 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.55 139.53 11.21 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.16 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 40.5 t -128.36 130.47 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 99.1 t -120.0 115.93 48.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.724 176.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 63.2 mt -112.11 109.18 27.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.962 0.411 . . . . 0.0 110.475 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.93 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.766 178.572 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.4 p90 . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.807 0.337 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -117.68 129.86 55.99 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.54 123.98 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.587 0.708 . . . . 0.0 111.567 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -113.34 135.34 53.96 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.051 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -149.22 138.48 21.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.04 0.448 . . . . 0.0 111.279 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -137.82 145.4 42.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.6 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -121.24 153.29 37.82 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 175.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.2 tp -147.67 128.02 13.95 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 m -134.78 134.52 53.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.315 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.425 ' HB3' ' HB ' ' A' ' 32' ' ' ILE . 55.6 t80 -136.73 131.33 33.33 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.904 0.383 . . . . 0.0 110.021 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -126.13 126.56 44.36 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.801 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.546 0 CA-C-O 120.881 0.372 . . . . 0.0 111.138 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 112.336 -0.306 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.71 130.74 56.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.019 0.438 . . . . 0.0 111.06 -178.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' B' ' 39' ' ' VAL . 4.0 mp -107.79 113.92 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.524 176.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.425 ' HB ' ' HB3' ' A' ' 19' ' ' PHE . 3.6 mp -106.37 124.26 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.29 -179.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.46 128.08 5.08 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.631 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.8 tp -135.48 146.02 47.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.765 0.317 . . . . 0.0 110.615 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.0 ttm -142.36 132.2 24.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.081 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 66.7 t -126.45 136.04 61.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.414 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.6 133.94 6.38 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.877 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.88 139.94 10.81 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.819 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.6 t -129.14 126.64 64.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.683 0.278 . . . . 0.0 110.516 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.419 HG21 HG12 ' B' ' 31' ' ' ILE . 2.6 p -108.41 113.09 43.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.278 0.561 . . . . 0.0 110.073 176.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.6 mt . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.089 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.697 0.284 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.419 HG12 HG21 ' A' ' 40' ' ' VAL . 66.0 mt -113.11 116.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 pp -115.04 148.83 17.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.775 0.321 . . . . 0.0 110.919 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.64 129.8 4.65 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -124.24 134.49 53.24 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.685 0.279 . . . . 0.0 110.449 -177.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -133.11 121.53 22.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.374 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -138.71 132.34 40.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.954 0.407 . . . . 0.0 110.502 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.86 166.79 34.6 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.279 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.69 160.32 30.2 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.887 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 6.6 p -142.48 133.97 25.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.894 0.378 . . . . 0.0 110.326 178.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -121.34 127.6 75.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.352 176.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 55.4 mt -114.71 110.04 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.562 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.681 178.218 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 48.8 p90 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -117.68 129.84 55.98 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 178.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -108.45 123.99 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.604 0.716 . . . . 0.0 111.732 -177.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -113.33 135.3 54.0 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.097 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -149.03 138.76 21.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.03 0.443 . . . . 0.0 111.215 -177.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -137.86 145.41 42.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.51 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -121.01 153.3 37.53 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 51.0 tp -147.71 128.17 14.04 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 m -134.98 134.13 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.424 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.419 ' HB3' ' HB ' ' C' ' 32' ' ' ILE . 54.9 t80 -136.5 130.85 33.13 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.804 0.335 . . . . 0.0 110.132 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.82 -178.888 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.685 0 N-CA-C 112.184 -0.366 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.73 130.92 57.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.951 0.405 . . . . 0.0 111.221 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' D' ' 39' ' ' VAL . 4.0 mp -107.74 114.13 45.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.477 176.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.419 ' HB ' ' HB3' ' C' ' 19' ' ' PHE . 3.6 mp -106.67 124.28 62.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.253 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.74 127.94 4.98 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.563 176.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 48.9 tp -135.43 145.87 47.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.676 0.274 . . . . 0.0 110.526 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 51.1 ttm -142.16 132.19 24.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.979 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 65.0 t -126.38 136.26 61.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.372 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.96 134.02 6.35 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.797 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.8 140.49 11.29 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.849 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 60.8 t -129.37 126.54 63.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.732 0.301 . . . . 0.0 110.469 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.427 HG21 HG12 ' D' ' 31' ' ' ILE . 2.6 p -108.24 113.25 43.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.222 0.534 . . . . 0.0 110.113 176.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 57.4 mt . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.097 179.871 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.671 0.272 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.427 HG12 HG21 ' C' ' 40' ' ' VAL . 66.2 mt -113.12 116.68 53.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 pp -114.92 149.15 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.06 129.84 4.6 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 174.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -124.23 134.62 53.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.612 0.244 . . . . 0.0 110.539 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 25.7 ttt -133.13 121.6 22.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.43 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -139.01 132.22 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.05 0.452 . . . . 0.0 110.427 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.81 166.86 34.59 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.263 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.94 160.42 30.36 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 121.047 -0.596 . . . . 0.0 111.808 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 6.7 p -142.63 133.74 24.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 120.945 0.402 . . . . 0.0 110.335 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 20.4 m -120.97 127.63 75.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.305 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 55.1 mt -114.69 110.07 30.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.61 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.889 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.512 178.362 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.3 p90 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -123.09 133.46 54.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.339 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m -106.2 143.83 16.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.686 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -144.91 135.95 24.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.269 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -159.54 138.51 10.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.045 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -142.31 154.17 44.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.124 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -141.55 149.39 40.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.916 0.389 . . . . 0.0 110.689 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -134.07 130.55 37.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.727 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.47 117.25 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.841 0.353 . . . . 0.0 110.24 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.03 121.01 36.01 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -135.22 137.45 42.63 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.181 0.515 . . . . 0.0 111.526 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.86 178.217 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.738 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.67 138.46 25.91 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.754 0.312 . . . . 0.0 110.507 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.0 tt -130.07 124.16 57.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.339 0.59 . . . . 0.0 110.516 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.402 HD11 ' N ' ' A' ' 32' ' ' ILE . 4.1 mp -112.01 121.44 64.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.684 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.11 129.1 7.47 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.853 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.1 tp -134.75 129.99 35.5 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttm -142.26 136.22 29.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.689 0.28 . . . . 0.0 110.492 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.14 140.1 43.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.467 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.15 140.85 8.65 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.79 161.49 30.29 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.721 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -129.72 130.35 66.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.791 0.329 . . . . 0.0 110.401 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -106.28 112.81 41.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.665 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.5 mt . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.765 -176.644 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.683 0.278 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 70.2 mt -133.28 125.49 51.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.431 . . . . 0.0 110.998 -176.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.07 136.69 60.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.771 175.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.5 130.29 3.89 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.062 177.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 60.9 tp -123.4 127.22 48.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.756 0.312 . . . . 0.0 110.485 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 27.9 ttt -125.53 121.79 34.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.244 -178.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.43 133.26 69.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.933 0.397 . . . . 0.0 110.852 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.68 142.07 11.97 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.98 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.28 143.91 12.73 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.137 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.19 131.37 72.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.977 0.418 . . . . 0.0 110.344 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.94 117.83 51.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.933 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 55.7 mt -116.77 125.02 73.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.964 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' D' ' 30' ' ' ALA . . . . . . . . 0 C--O 1.248 1.001 0 O-C-N 124.209 0.943 . . . . 0.0 111.111 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 44.9 p90 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.78 0.324 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -122.87 133.47 54.42 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.303 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 m -106.36 143.62 16.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -144.96 135.27 24.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.297 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -158.32 140.03 13.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.738 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -143.23 154.44 43.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.102 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -141.43 149.33 40.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.878 0.371 . . . . 0.0 110.783 177.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.2 mt -133.85 130.96 38.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.759 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.93 117.11 43.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -122.02 120.66 35.02 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 35.5 p90 . . . . . 0 C--N 1.322 -0.604 0 CA-C-O 121.189 0.519 . . . . 0.0 111.471 -178.089 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.955 0 N-CA-C 111.631 -0.588 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.69 138.12 25.66 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.778 0.323 . . . . 0.0 110.669 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 11.9 tt -129.69 124.17 58.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.323 0.582 . . . . 0.0 110.447 177.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.404 ' N ' HD11 ' C' ' 32' ' ' ILE . 4.1 mp -111.99 121.5 64.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.734 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.0 129.48 7.64 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.686 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 57.1 tp -135.05 129.9 34.78 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 51.2 ttm -142.33 136.15 29.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.764 0.316 . . . . 0.0 110.533 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.12 140.12 43.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.478 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.23 140.66 8.5 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.511 -0.635 . . . . 0.0 111.511 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.77 161.3 30.18 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.671 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -129.42 130.46 67.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.872 0.368 . . . . 0.0 110.348 -178.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 60.5 t -106.44 112.77 40.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.713 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 68.0 mt . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.853 -176.676 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.484 ' HA ' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 120.702 0.287 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 70.4 mt -133.15 125.35 51.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.948 0.404 . . . . 0.0 110.983 -176.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.79 137.03 58.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.59 130.32 3.89 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.015 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 60.4 tp -123.66 127.13 47.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.787 0.327 . . . . 0.0 110.473 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 28.0 ttt -125.56 121.86 34.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.232 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -125.52 133.4 69.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.116 0.484 . . . . 0.0 110.81 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.71 142.22 12.1 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.986 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.24 143.91 12.74 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.108 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -124.09 131.63 72.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.036 0.446 . . . . 0.0 110.383 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.93 118.06 52.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.824 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 56.4 mt -116.83 125.09 73.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.932 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.946 0 O-C-N 124.21 0.943 . . . . 0.0 111.121 -178.416 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.5 p90 . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 120.909 0.385 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -112.24 129.76 56.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.213 172.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.94 134.8 54.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.857 0.36 . . . . 0.0 110.575 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -140.55 135.29 31.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -120.82 136.59 54.87 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -134.93 134.05 40.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.724 0.297 . . . . 0.0 110.335 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -122.8 133.77 54.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.317 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.64 121.97 31.85 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.835 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 m -125.43 137.63 57.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.088 0.47 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -135.68 138.94 43.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.457 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -132.76 133.57 43.61 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.327 0.584 . . . . 0.0 111.12 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.681 176.464 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' B' ' 40' ' ' VAL . . . -141.81 130.75 23.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.426 0.613 . . . . 0.0 111.625 -176.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -122.09 128.67 75.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.6 tt -130.88 136.53 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.986 0.422 . . . . 0.0 110.499 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.79 142.43 10.62 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.737 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -140.05 140.7 36.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.006 0.431 . . . . 0.0 110.584 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 70.5 mtm -126.86 129.73 48.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.689 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -121.86 131.79 72.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.427 -178.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.76 130.58 9.02 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.35 145.52 17.35 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.625 -177.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.3 t -129.44 121.14 52.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.7 t -104.49 106.27 20.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.953 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--N 1.322 -0.606 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.055 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -127.09 120.5 55.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.549 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -115.92 149.11 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.308 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.73 130.55 3.25 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.125 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -115.67 134.55 54.93 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 59.1 mtm -119.97 123.26 43.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.773 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -122.36 125.93 73.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.3 162.23 28.4 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.902 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.93 153.51 24.8 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.17 -0.538 . . . . 0.0 111.766 177.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -142.03 132.06 24.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.979 0.419 . . . . 0.0 110.604 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 16.8 m -124.34 123.53 66.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.8 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 58.2 mt -114.83 109.47 28.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.057 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.769 -179.187 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 38.5 p90 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.143 0.497 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -112.08 129.61 56.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.28 172.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.72 135.18 52.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.886 0.374 . . . . 0.0 110.582 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -141.1 135.49 31.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.759 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -120.9 136.43 54.94 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -134.68 134.08 40.72 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -123.01 133.85 54.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.983 0.42 . . . . 0.0 110.405 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.61 121.97 31.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.726 178.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 20.5 m -125.37 137.39 57.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.982 0.42 . . . . 0.0 110.98 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -135.33 139.17 44.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 35.3 p90 . . . . . 0 C--N 1.322 -0.594 0 CA-C-O 121.269 0.556 . . . . 0.0 111.12 -177.708 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' D' ' 40' ' ' VAL . . . -142.35 130.76 22.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.346 0.573 . . . . 0.0 111.602 -177.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.98 128.75 75.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.524 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.7 tt -130.92 136.71 57.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.037 0.446 . . . . 0.0 110.574 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.03 141.95 10.12 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.665 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -139.76 140.74 36.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.025 0.441 . . . . 0.0 110.581 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 70.0 mtm -126.62 129.93 49.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.772 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.3 t -121.93 131.7 72.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.493 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.75 130.47 8.96 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.38 145.66 17.48 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.625 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 88.5 t -129.51 120.92 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.842 0.353 . . . . 0.0 110.08 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -104.25 106.09 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.978 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 24.8 mt . . . . . 0 C--N 1.321 -0.669 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.04 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.71 0.291 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 66.5 mt -127.05 120.08 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.495 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -115.72 149.35 17.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.66 130.8 3.33 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.033 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 96.8 mt -115.93 134.73 54.67 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 59.3 mtm -120.19 123.21 42.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -174.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.42 125.94 73.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.41 162.12 28.41 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.952 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.01 153.17 24.54 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 p -142.01 132.09 24.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.017 0.437 . . . . 0.0 110.504 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' C' ' 30' ' ' ALA . 16.8 m -124.25 123.53 66.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.683 178.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 58.9 mt -114.9 109.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.066 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.729 -179.001 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.7 p90 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.16 134.05 55.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.829 0.347 . . . . 0.0 111.16 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.6 p -122.79 133.13 69.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.562 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -139.56 153.0 47.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.073 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -141.84 145.55 34.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.807 0.337 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -126.43 135.45 51.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.909 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -127.65 129.92 48.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.834 0.35 . . . . 0.0 110.789 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.4 mt -130.49 131.32 45.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.288 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.3 m -128.36 131.14 69.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.144 0.497 . . . . 0.0 110.68 178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -134.96 129.33 34.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.507 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -101.46 111.43 23.66 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.677 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.733 0 CA-C-O 120.935 0.397 . . . . 0.0 110.083 178.845 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 111.954 -0.458 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' B' ' 40' ' ' VAL . . . -133.92 130.03 37.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.969 0.414 . . . . 0.0 110.864 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.439 HD11 ' N ' ' A' ' 31' ' ' ILE . 3.9 mp -103.39 123.1 56.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.9 mt -115.33 115.96 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.918 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.8 127.59 7.19 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.319 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.5 mt -131.21 130.29 42.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.659 0.266 . . . . 0.0 110.603 -177.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 66.7 mtt -134.86 133.36 39.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.513 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 64.2 t -130.33 131.86 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.386 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.87 130.72 8.91 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.35 138.93 11.01 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.956 -177.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.0 t -132.59 131.87 59.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.792 0.33 . . . . 0.0 110.747 -177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.6 t -93.9 105.98 17.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 173.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mt . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -175.059 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.193 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 54.5 mt -103.53 113.8 41.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.827 0.346 . . . . 0.0 110.368 -178.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -108.45 154.13 9.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.512 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.48 129.78 3.57 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.958 177.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.3 tp -107.47 125.41 51.22 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 63.1 mtt -113.06 122.12 46.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.392 -176.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.9 m -130.96 140.81 47.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.952 0.406 . . . . 0.0 110.276 177.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.94 162.01 31.44 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.082 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.85 139.55 8.05 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.583 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 27.5 m -130.84 134.86 61.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.027 0.441 . . . . 0.0 110.413 179.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 4.0 p -126.23 126.39 69.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.411 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mt -107.71 109.27 27.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.012 -179.722 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 42.9 p90 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -117.97 134.34 55.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.853 0.359 . . . . 0.0 111.194 -176.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 p -122.89 132.77 70.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.614 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -139.2 152.74 47.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.938 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -141.66 145.44 34.95 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.718 0.294 . . . . 0.0 110.773 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -126.48 135.64 51.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.969 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -127.83 129.92 47.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.137 0.494 . . . . 0.0 110.9 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -130.51 131.53 45.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.134 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 15.4 m -128.61 131.29 68.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.965 0.412 . . . . 0.0 110.538 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -135.06 129.32 33.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.66 -177.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 56.2 t80 . . . . . 0 C--N 1.321 -0.668 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.749 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.52 0 N-CA-C 111.792 -0.523 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.97 130.06 37.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.027 0.442 . . . . 0.0 110.949 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.436 ' N ' HD11 ' C' ' 31' ' ' ILE . 3.9 mp -103.53 123.18 56.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 64.2 mt -115.37 115.72 50.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.55 127.41 7.15 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.441 -0.663 . . . . 0.0 111.441 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 78.6 mt -131.08 130.52 43.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.644 0.259 . . . . 0.0 110.691 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 66.0 mtt -135.03 133.13 39.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.762 0.315 . . . . 0.0 110.501 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 64.6 t -130.1 131.81 65.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.456 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.11 130.46 8.74 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.516 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.06 138.87 11.04 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.996 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 48.1 t -132.79 131.93 59.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.862 0.363 . . . . 0.0 110.621 -177.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.98 106.19 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 173.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 47.7 mt . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.748 -175.181 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.194 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 56.2 mt -103.51 113.93 41.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.773 0.321 . . . . 0.0 110.381 -178.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -108.48 154.44 9.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.496 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.66 129.85 3.58 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.067 177.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 57.4 tp -107.53 125.5 51.37 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 63.4 mtt -113.09 121.8 45.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.427 -176.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 24.9 m -130.85 140.83 47.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.035 0.445 . . . . 0.0 110.231 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.74 162.55 31.7 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.095 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.17 139.77 8.13 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.601 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 27.7 m -131.01 134.84 61.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.981 0.419 . . . . 0.0 110.352 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -126.26 126.29 69.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.455 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 48.3 mt -107.67 109.22 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.055 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.329 -0.844 . . . . 0.0 110.081 -179.715 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.689 0.281 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.92 88.43 2.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.929 0.395 . . . . 0.0 110.564 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.93 -46.85 11.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.447 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -88.03 59.26 5.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.615 0.722 . . . . 0.0 109.465 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -159.61 91.84 1.01 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.269 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -79.53 -40.31 29.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.332 0.587 . . . . 0.0 109.611 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -164.83 -172.72 2.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.036 -0.984 . . . . 0.0 108.889 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.2 p -130.97 36.5 3.86 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.896 0.379 . . . . 0.0 110.815 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.1 54.36 4.72 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.134 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -140.95 159.85 41.33 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -134.3 130.02 36.42 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.1 p -98.31 138.84 21.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.051 0.453 . . . . 0.0 110.602 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -127.58 135.64 50.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -147.96 136.03 21.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.857 0.36 . . . . 0.0 110.233 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -147.86 133.13 18.44 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -138.02 140.01 39.9 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -152.36 149.74 28.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.234 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -125.31 141.72 44.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.456 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -126.78 129.59 48.63 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -125.71 130.16 50.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.239 0.542 . . . . 0.0 110.982 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HB1' ' OD2' ' A' ' 23' ' ' ASP . . . -128.7 130.93 47.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.425 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -111.06 3.96 19.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.344 0.592 . . . . 0.0 110.056 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.419 ' OD2' ' HB1' ' A' ' 21' ' ' ALA . 6.5 p-10 -85.55 25.37 1.06 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.072 -178.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.2 t -88.7 -38.87 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.422 0.63 . . . . 0.0 109.437 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.24 170.38 38.66 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.344 -1.103 . . . . 0.0 110.344 176.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -66.69 -35.76 80.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 117.491 0.645 . . . . 0.0 109.514 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -127.38 54.03 1.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.001 174.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -160.54 138.2 9.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.78 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.59 165.72 26.71 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.206 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.76 131.87 36.08 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.767 0.317 . . . . 0.0 110.52 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 tt -131.58 139.06 51.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.362 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 tt -131.53 133.33 61.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.479 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.08 132.5 9.86 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 176.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.2 tp -123.97 128.54 49.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.822 0.344 . . . . 0.0 110.655 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.1 mtm -130.92 120.93 24.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.821 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -123.12 131.7 72.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.905 0.384 . . . . 0.0 110.571 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.99 131.13 5.72 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 177.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.93 154.28 25.52 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.845 -176.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -133.66 127.2 52.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -116.14 125.55 73.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.985 0.421 . . . . 0.0 110.629 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.29 122.83 67.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.159 -177.513 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.12 32.67 4.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.752 0.31 . . . . 0.0 111.169 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -96.48 143.57 27.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.057 0.456 . . . . 0.0 110.072 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -122.11 71.23 0.99 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.085 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -64.26 101.08 0.38 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.277 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -88.56 -59.57 2.2 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . 0.499 ' HB3' ' HA ' ' B' ' 11' ' ' GLU . 4.9 m-20 -95.71 72.37 3.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.076 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t -89.17 138.01 31.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.237 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.19 -60.37 4.77 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.994 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -143.98 133.65 23.64 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.499 ' HA ' ' HB3' ' B' ' 7' ' ' ASP . 43.8 mt-10 -73.09 106.97 5.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.203 0.525 . . . . 0.0 110.266 178.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 m -101.04 -19.43 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.819 -176.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -75.45 86.73 2.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.16 0.505 . . . . 0.0 110.668 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -101.52 -31.48 10.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.628 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -99.36 109.83 22.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.087 0.47 . . . . 0.0 110.388 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -86.68 18.89 3.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.69 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -60.59 -37.48 81.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.429 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 p -67.81 -24.4 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.857 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -84.87 -34.25 22.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.114 0.483 . . . . 0.0 109.852 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -67.45 -45.09 77.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.231 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.62 3.58 47.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.236 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 63.48 179.17 0.16 Allowed 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.92 0.762 . . . . 0.0 111.032 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -146.99 157.84 43.74 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.302 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 m -122.04 32.22 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.136 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.81 -73.31 1.7 Allowed Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.776 -175.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 44.5 m -134.62 138.09 44.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -79.33 69.59 5.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 71.51 -52.99 0.69 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.756 -174.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -164.84 -152.69 7.14 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.92 127.11 12.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.808 0.304 . . . . 0.0 110.648 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.447 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 78.0 mt -127.41 125.11 65.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.406 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.444 HD12 ' N ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -134.86 130.45 52.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.662 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.444 ' N ' HD12 ' B' ' 32' ' ' ILE . . . -138.63 130.63 5.0 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.959 178.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.7 tp -112.43 126.23 55.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.813 0.34 . . . . 0.0 110.319 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 59.2 mtt -115.03 121.11 42.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.94 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.5 t -123.92 126.56 72.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.125 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.95 136.41 7.54 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.91 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.57 139.86 11.84 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.027 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -118.42 130.8 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.036 0.446 . . . . 0.0 110.566 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 73.2 t -125.78 114.44 39.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.877 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.53 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 55.1 mt -116.64 109.49 28.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.674 -178.001 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.747 0.308 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.43 88.01 2.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.064 0.459 . . . . 0.0 110.679 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -83.63 -47.24 11.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.394 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -87.75 59.16 5.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.592 0.71 . . . . 0.0 109.51 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -159.49 91.97 1.03 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.175 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -79.65 -40.07 29.99 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.425 0.631 . . . . 0.0 109.742 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -165.03 -172.72 2.65 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.049 -0.978 . . . . 0.0 108.936 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 16.2 p -130.92 36.49 3.87 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.983 0.42 . . . . 0.0 110.797 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.74 54.42 4.65 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.099 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -141.29 159.31 42.48 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -133.77 130.19 37.68 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 p -98.52 138.96 21.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.963 0.411 . . . . 0.0 110.48 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -127.46 136.23 51.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -148.7 135.82 20.11 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.818 0.342 . . . . 0.0 110.213 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -147.95 133.01 18.22 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -137.51 140.56 41.2 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -152.63 149.94 28.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.225 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -125.69 141.3 45.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.082 0.467 . . . . 0.0 110.52 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -126.5 129.4 48.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.818 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -125.35 130.4 51.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.027 0.442 . . . . 0.0 110.886 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . 0.42 ' HB1' ' OD2' ' C' ' 23' ' ' ASP . . . -129.04 131.04 47.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.574 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -111.01 3.47 18.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.328 0.585 . . . . 0.0 110.102 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.42 ' OD2' ' HB1' ' C' ' 21' ' ' ALA . 6.5 p-10 -85.09 25.18 0.99 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.148 -178.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 26.3 t -88.58 -38.67 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.548 0.69 . . . . 0.0 109.399 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.46 170.24 38.78 Favored Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -66.7 -35.37 79.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 117.424 0.612 . . . . 0.0 109.47 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -127.66 53.34 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.038 175.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -160.3 138.38 9.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.727 176.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.86 165.75 26.8 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.24 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.88 131.61 35.47 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.655 0.264 . . . . 0.0 110.49 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 tt -131.3 139.14 51.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 120.911 0.386 . . . . 0.0 110.313 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 tt -131.7 133.29 61.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.454 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.405 ' O ' ' HA2' ' D' ' 37' ' ' GLY . . . -118.06 132.43 9.83 Favored Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 176.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 61.4 tp -123.83 128.39 49.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.847 0.356 . . . . 0.0 110.732 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 53.6 mtm -131.02 120.92 24.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.74 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -122.92 132.0 72.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.783 0.325 . . . . 0.0 110.517 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.48 130.91 5.57 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.75 154.24 25.45 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.874 -176.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 45.2 t -133.69 126.98 52.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.4 HG22 HG12 ' D' ' 31' ' ' ILE . 4.2 p -115.83 125.65 73.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.988 0.423 . . . . 0.0 110.747 177.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.35 122.89 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.157 -177.412 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.32 32.66 4.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.764 0.316 . . . . 0.0 111.142 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -96.5 143.19 27.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.105 0.478 . . . . 0.0 110.237 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -121.74 71.22 0.97 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.035 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -63.98 101.38 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.169 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -88.79 -59.81 2.13 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . 0.505 ' HB3' ' HA ' ' D' ' 11' ' ' GLU . 4.9 m-20 -95.68 73.17 3.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.965 178.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t -89.89 138.25 31.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.226 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.06 -60.24 4.81 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.91 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -144.08 133.73 23.61 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . 0.505 ' HA ' ' HB3' ' D' ' 7' ' ' ASP . 44.0 mt-10 -72.89 106.58 4.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.152 0.501 . . . . 0.0 110.397 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 30.1 m -100.74 -19.42 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.806 -176.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -75.45 86.97 2.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.17 0.509 . . . . 0.0 110.529 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -101.88 -31.27 10.79 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.727 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -99.45 110.1 22.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.318 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -86.87 19.21 3.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.7 -37.6 82.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.319 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 p -67.88 -24.22 30.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.875 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -84.93 -34.23 22.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.117 0.484 . . . . 0.0 109.911 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -67.35 -45.3 76.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.215 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.51 3.59 48.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.208 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 63.26 179.37 0.15 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.134 -176.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -147.16 158.54 43.98 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.1 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 14.3 m -122.81 32.43 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.942 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.56 -73.23 1.65 Allowed Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.732 -175.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 41.9 m -134.41 138.09 44.54 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -79.3 69.35 5.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.06 0.457 . . . . 0.0 109.862 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 71.94 -52.34 0.69 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.761 -175.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.54 -152.67 7.25 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.05 127.25 12.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.758 0.279 . . . . 0.0 110.751 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.53 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 77.8 mt -127.51 125.25 65.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.275 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.437 HD12 ' N ' ' D' ' 33' ' ' GLY . 0.0 OUTLIER -134.98 130.49 52.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.552 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . 0.437 ' N ' HD12 ' D' ' 32' ' ' ILE . . . -138.36 130.53 5.0 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.075 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 57.2 tp -112.38 126.37 55.21 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.757 0.313 . . . . 0.0 110.247 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 58.7 mtt -114.93 121.03 41.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.057 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.9 126.82 73.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.094 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' C' ' 33' ' ' GLY . . . -141.48 136.28 7.34 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.967 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.17 140.01 12.03 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.025 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.53 130.86 72.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.037 0.446 . . . . 0.0 110.664 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 69.5 t -125.76 114.32 38.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.958 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . 0.447 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 55.4 mt -116.55 109.34 27.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.682 -0.675 . . . . 0.0 109.622 -177.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.469 0.176 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.37 168.16 14.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.601 -0.148 . . . . 0.0 110.601 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 62.34 79.31 0.26 Allowed 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.654 0.596 . . . . 0.0 111.144 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -86.77 -65.55 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.324 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 57.09 94.41 0.03 OUTLIER 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.33 -175.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -79.63 69.48 5.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.194 0.521 . . . . 0.0 110.331 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -87.24 -173.56 4.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.672 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.8 t -168.01 114.51 0.7 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.784 0.326 . . . . 0.0 110.212 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.21 -136.4 9.12 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.459 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -146.28 153.95 41.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.75 0.309 . . . . 0.0 110.675 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -131.33 144.35 51.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.402 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -126.89 130.79 71.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.075 0.464 . . . . 0.0 110.808 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -142.49 146.17 34.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.758 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -140.72 161.92 36.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.864 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -152.77 143.55 22.86 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -139.26 137.46 35.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.019 0.437 . . . . 0.0 110.79 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -134.77 134.3 40.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.0 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.2 m -125.39 135.68 63.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.07 0.462 . . . . 0.0 110.538 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -131.76 135.3 46.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.973 -178.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -134.71 129.97 35.55 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.724 0.297 . . . . 0.0 110.299 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.53 128.99 30.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.484 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -107.46 14.25 26.06 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.498 0.666 . . . . 0.0 109.837 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.28 22.26 0.85 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.166 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.1 t -89.92 -25.23 5.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.191 0.519 . . . . 0.0 110.027 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.44 -157.3 14.77 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.3 m -84.5 -41.11 16.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.953 0.406 . . . . 0.0 110.615 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -133.7 38.37 3.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.171 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' HB2' ' OXT' ' B' ' 42' ' ' ALA . 10.7 ptmm? -148.8 150.91 33.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.591 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.42 -169.72 25.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.302 -0.951 . . . . 0.0 113.2 -174.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.33 140.21 33.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.77 0.319 . . . . 0.0 110.786 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.06 133.84 68.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.431 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.0 mt -124.86 138.84 52.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.325 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.28 128.42 4.34 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.789 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.6 tp -120.94 123.15 41.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.752 0.31 . . . . 0.0 110.319 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.5 mmt -119.82 123.77 44.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.956 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 63.9 t -121.11 137.19 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.928 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.26 134.29 6.44 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.13 142.57 12.65 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.917 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.7 t -128.68 128.75 68.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.7 t -114.0 122.61 68.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.182 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.7 pt -118.01 132.83 66.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.712 0.292 . . . . 0.0 110.493 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.57 -178.253 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.887 0.375 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.37 -9.64 44.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.247 0.546 . . . . 0.0 109.93 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -80.79 137.54 36.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.208 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -128.99 7.95 5.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.166 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.499 ' HE ' ' CD ' ' B' ' 11' ' ' GLU . 22.7 ttt180 -131.71 -52.55 0.99 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.467 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -74.31 85.55 1.95 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.236 0.541 . . . . 0.0 111.492 -173.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -91.01 -20.29 22.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.334 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.1 t 73.33 1.74 4.09 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.513 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.66 -45.18 1.99 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 174.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -95.56 -41.81 8.75 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 171.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.499 ' CD ' ' HE ' ' B' ' 5' ' ' ARG . 16.1 mm-40 -78.33 72.04 4.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.396 174.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 16.6 m -96.71 -24.19 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.123 -176.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -75.01 100.08 4.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.965 0.412 . . . . 0.0 110.882 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -83.01 70.8 10.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.43 0.633 . . . . 0.0 109.81 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -83.34 4.09 28.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.594 -175.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -114.02 17.55 17.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.048 0.451 . . . . 0.0 110.238 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.02 -29.71 69.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.452 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 p -67.8 -28.04 40.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.03 0.443 . . . . 0.0 110.595 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -84.87 -20.24 31.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.161 0.505 . . . . 0.0 110.216 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -85.23 -31.46 23.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.007 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.3 81.58 7.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.181 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.06 137.94 58.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.492 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -91.89 143.41 26.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.157 0.503 . . . . 0.0 111.02 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 10.6 p -147.45 28.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 122.162 0.982 . . . . 0.0 108.538 174.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.18 21.14 2.63 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.995 -175.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.7 m -74.21 162.74 28.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.864 0.332 . . . . 0.0 110.877 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 69.56 70.74 0.25 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.624 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -71.53 94.31 1.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.735 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.72 71.09 1.0 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.284 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.66 134.47 35.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.038 0.447 . . . . 0.0 110.998 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 75.1 mt -115.55 114.63 46.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.32 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.42 128.15 62.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 177.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.59 130.2 6.08 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.846 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 67.4 tp -121.16 127.09 51.2 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.0 mtt -124.3 120.72 33.0 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.817 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -120.88 128.11 76.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.082 0.467 . . . . 0.0 110.27 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.9 135.34 8.2 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.564 -0.826 . . . . 0.0 111.972 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.59 142.92 13.98 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.582 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 p -136.37 132.12 48.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.087 0.47 . . . . 0.0 110.808 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 49.7 t -118.21 113.65 42.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 55.7 mt -107.56 114.26 45.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.017 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.52 ' OXT' ' HB2' ' A' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.733 -0.651 . . . . 0.0 109.606 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.567 0.223 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.67 168.66 14.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.886 -0.143 . . . . 0.0 110.664 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 61.53 79.3 0.26 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.763 0.665 . . . . 0.0 111.261 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -86.7 -65.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.279 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 56.72 94.63 0.02 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.31 -175.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -79.83 69.51 6.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.263 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.43 -173.1 4.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.602 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 44.5 t -168.31 114.43 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 -177.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.22 -136.25 9.05 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.371 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -146.3 153.68 40.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.909 0.385 . . . . 0.0 110.855 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -131.12 144.27 51.27 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.443 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 17.6 m -126.63 131.4 71.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.003 0.43 . . . . 0.0 110.637 -177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -142.87 146.21 33.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.701 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -140.8 161.86 36.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.953 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -152.75 143.45 22.8 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -139.13 137.69 36.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.931 0.396 . . . . 0.0 110.81 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -135.15 133.7 39.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.001 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 m -124.57 136.33 60.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.094 0.473 . . . . 0.0 110.512 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -132.19 135.39 46.3 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.986 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -134.74 130.05 35.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.782 0.325 . . . . 0.0 110.396 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.52 129.14 30.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 177.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -107.86 14.4 25.43 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.576 0.703 . . . . 0.0 109.774 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -82.12 21.65 0.88 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.166 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -89.48 -25.24 5.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.162 0.506 . . . . 0.0 109.989 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.28 -157.19 14.35 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.526 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.0 m -84.57 -41.76 16.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.009 0.433 . . . . 0.0 110.439 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -133.14 38.67 3.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.214 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.523 ' HB2' ' OXT' ' D' ' 42' ' ' ALA . 10.8 ptmm? -149.25 151.17 33.78 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.57 -169.72 25.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.271 -0.966 . . . . 0.0 113.161 -174.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.97 140.45 34.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.696 0.284 . . . . 0.0 110.851 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.32 133.57 68.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.552 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 55.0 mt -124.63 138.92 52.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.402 -177.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.38 128.1 4.21 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.713 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 59.8 tp -120.69 123.17 42.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.668 0.27 . . . . 0.0 110.422 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 23.6 mmt -120.04 123.3 43.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.031 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 62.9 t -120.63 137.38 54.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.011 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.46 134.67 6.6 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.35 142.43 12.43 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.854 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.49 128.65 68.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 58.8 t -113.82 122.76 68.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.191 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 25.2 pt -118.14 132.68 67.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.665 0.269 . . . . 0.0 110.545 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.46 -178.304 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.748 0.309 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.04 -9.28 46.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.134 0.492 . . . . 0.0 110.216 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.02 137.54 36.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.164 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -129.08 8.1 5.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.188 177.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . 0.503 ' HE ' ' CD ' ' D' ' 11' ' ' GLU . 22.4 ttt180 -131.67 -52.73 1.0 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.431 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -74.34 85.49 1.96 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.304 0.573 . . . . 0.0 111.511 -173.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -91.1 -19.77 22.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.469 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 28.8 t 72.84 1.62 4.08 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.509 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.68 -45.15 1.99 Allowed Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 174.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -95.57 -41.85 8.72 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 171.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . 0.503 ' CD ' ' HE ' ' D' ' 5' ' ' ARG . 16.1 mm-40 -78.42 72.11 4.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.293 174.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 16.5 m -96.72 -24.23 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.069 -176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -75.24 100.0 4.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.972 0.415 . . . . 0.0 110.834 -177.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -82.94 70.96 10.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.433 0.635 . . . . 0.0 109.824 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -83.34 4.03 29.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.714 -175.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -114.11 17.6 17.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.993 0.425 . . . . 0.0 110.228 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 58.9 tp -66.97 -29.65 69.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.5 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 p -67.81 -28.17 40.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.054 0.454 . . . . 0.0 110.576 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -84.9 -20.25 31.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.153 0.502 . . . . 0.0 110.209 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -85.15 -31.6 23.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.967 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.25 81.74 7.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.195 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -64.81 138.14 58.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.55 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -91.93 143.71 26.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 10.6 p -147.7 28.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 122.112 0.958 . . . . 0.0 108.552 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.23 20.84 2.62 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.922 -175.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -74.07 162.7 28.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.784 0.292 . . . . 0.0 110.836 176.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 69.45 70.56 0.25 Allowed 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.623 0.577 . . . . 0.0 110.652 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -71.3 94.12 1.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.99 71.32 1.0 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.26 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.75 134.64 35.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.103 0.477 . . . . 0.0 110.902 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 76.4 mt -115.79 114.64 46.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.226 178.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.5 128.07 62.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 177.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.55 129.98 6.01 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.956 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 66.6 tp -120.92 126.75 50.8 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.834 0.349 . . . . 0.0 110.23 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.1 mtt -123.83 120.97 34.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.818 178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 m -121.03 127.81 75.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.969 0.414 . . . . 0.0 110.278 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.76 135.44 8.27 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.938 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.02 143.36 14.33 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.495 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 6.8 p -136.7 132.1 47.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.145 0.497 . . . . 0.0 110.853 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 50.7 t -118.2 113.45 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt -107.61 114.47 46.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.977 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . 0.523 ' OXT' ' HB2' ' C' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.701 -0.666 . . . . 0.0 109.519 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.758 0.313 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.18 -32.93 26.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.136 0.493 . . . . 0.0 110.088 176.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -114.2 146.28 40.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.653 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -130.13 90.09 2.9 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 171.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -69.69 -20.76 63.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.357 -177.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -96.25 57.94 1.76 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.564 174.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -62.44 -29.16 70.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.704 -175.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -91.74 9.58 31.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.115 0.483 . . . . 0.0 110.584 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.39 65.74 3.77 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.447 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -150.18 151.93 33.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.693 0.282 . . . . 0.0 110.319 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -110.17 138.88 45.94 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.437 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.1 t -112.98 113.78 45.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -114.38 137.18 52.14 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -152.19 144.23 23.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.879 0.371 . . . . 0.0 111.013 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -146.1 150.54 36.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.206 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -136.01 126.69 27.21 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -122.93 125.97 46.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.175 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.9 t -128.04 122.71 58.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -111.96 136.61 51.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.066 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.61 121.53 45.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.705 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.15 128.98 55.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.963 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -76.02 -34.91 59.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.296 -175.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.611 ' HA ' ' O ' ' A' ' 28' ' ' LYS . 24.2 t70 -153.81 144.63 22.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.886 0.374 . . . . 0.0 110.791 176.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 m -135.21 44.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.855 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 175.09 -59.67 0.11 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 119.745 -1.217 . . . . 0.0 113.652 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.5 t -170.85 -46.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.885 0.374 . . . . 0.0 110.101 -174.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -158.96 63.68 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.384 0.612 . . . . 0.0 109.725 176.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.611 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 26.1 pttm -161.08 138.24 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.958 175.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.15 169.01 21.45 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.974 -176.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.7 131.01 19.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.087 0.47 . . . . 0.0 111.325 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.7 tt -125.32 132.37 71.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.614 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 tt -134.37 127.11 50.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.988 0.423 . . . . 0.0 110.967 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.2 135.62 8.72 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 tp -135.29 125.99 27.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.761 0.315 . . . . 0.0 110.267 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.6 ttt -121.1 132.74 55.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.287 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -123.12 131.39 73.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.997 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.47 130.78 5.96 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.39 155.26 25.11 Favored Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.063 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.62 129.27 75.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -105.21 110.18 30.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.849 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.44 ' O ' ' HA2' ' B' ' 29' ' ' GLY . 60.6 mt -101.65 109.14 25.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.087 -178.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.851 -176.372 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.744 0.307 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.12 41.62 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.033 0.444 . . . . 0.0 110.198 177.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -61.81 -37.03 82.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.566 -176.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -78.87 -40.11 33.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.932 0.396 . . . . 0.0 110.592 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -82.87 62.88 6.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.09 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -104.15 135.2 46.08 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.503 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -150.82 149.06 29.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 57.6 m 59.99 31.02 20.47 Favored 'General case' 0 C--O 1.233 0.185 0 O-C-N 123.64 0.587 . . . . 0.0 111.272 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.91 -9.36 45.94 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.024 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 63.27 27.75 15.56 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.324 0.583 . . . . 0.0 110.337 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -77.25 -60.02 2.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.648 -177.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -90.31 143.26 11.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.868 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -107.63 0.34 22.45 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.394 0.616 . . . . 0.0 109.629 176.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -118.62 130.55 55.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.304 174.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -122.05 146.41 47.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.419 0.628 . . . . 0.0 111.753 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -143.86 -36.16 0.35 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.6 177.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.63 -42.36 92.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.351 -178.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.03 -22.06 27.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.292 . . . . 0.0 111.534 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -85.99 -22.25 27.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.178 0.513 . . . . 0.0 110.43 176.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -87.9 -42.21 12.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.909 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.42 141.66 28.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.519 -176.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 60.3 41.63 16.13 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.821 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.09 -46.15 90.37 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.484 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 49.6 t -72.81 -36.76 53.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.557 177.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.53 -63.23 3.93 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.557 176.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 24.5 t 60.6 33.18 20.43 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.307 0.575 . . . . 0.0 110.178 -177.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -93.42 -57.91 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.055 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -121.52 163.93 18.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.99 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 41' ' ' ILE . . . 141.06 115.54 1.2 Allowed Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.442 -178.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.89 127.48 35.64 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 64.1 mt -117.56 112.88 40.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.849 0.357 . . . . 0.0 110.736 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -111.78 154.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.13 131.63 3.77 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.229 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 75.9 mt -107.57 126.17 52.21 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 61.1 mtm -113.23 121.57 44.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.483 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 57.8 t -132.71 126.87 55.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.097 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.29 167.96 29.02 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.769 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.45 142.23 9.16 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.189 -0.529 . . . . 0.0 111.995 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.64 131.19 73.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 82.6 t -125.43 113.82 36.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 176.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 65.0 mt -111.8 109.47 28.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.04 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.473 -0.775 . . . . 0.0 109.792 -177.529 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 120.648 0.261 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.09 -33.04 26.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.125 0.488 . . . . 0.0 110.135 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -114.12 145.75 41.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.635 176.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -129.79 90.29 2.95 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 171.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -69.75 -20.7 63.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.36 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -96.34 57.11 1.65 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.494 174.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -61.5 -29.93 70.29 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.617 -175.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 19.0 m -90.84 9.51 29.97 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.071 0.462 . . . . 0.0 110.74 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.58 65.99 3.7 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.463 -178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -150.35 151.97 33.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.696 0.284 . . . . 0.0 110.252 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -110.41 138.64 46.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.454 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.55 113.75 45.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -114.16 137.66 51.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.941 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -153.0 143.61 22.71 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.671 0.272 . . . . 0.0 110.891 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -145.95 150.5 36.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.059 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -135.97 126.59 27.11 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -122.81 125.85 46.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.169 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -127.9 122.62 59.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -111.9 136.55 51.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.115 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -112.62 121.44 44.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.682 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.11 129.09 55.33 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.001 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -76.4 -34.6 58.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.254 -175.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.619 ' HA ' ' O ' ' C' ' 28' ' ' LYS . 24.5 t70 -154.1 144.53 22.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.808 176.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 m -135.11 44.47 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.816 177.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . 0.4 ' HA3' ' HZ3' ' C' ' 28' ' ' LYS . . . 175.31 -60.39 0.11 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 119.875 -1.155 . . . . 0.0 113.682 177.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 31.8 t -170.21 -46.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.126 0.489 . . . . 0.0 110.039 -174.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -158.7 63.2 0.42 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.84 177.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.619 ' O ' ' HA ' ' C' ' 23' ' ' ASP . 26.1 pttm -160.8 138.26 9.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.964 175.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.79 168.92 21.76 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.03 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.66 131.2 19.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.075 0.464 . . . . 0.0 111.276 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 9.5 tt -125.69 132.05 71.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.661 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 tt -134.22 126.95 50.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.167 0.508 . . . . 0.0 111.037 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.25 135.71 8.75 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.619 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 58.9 tp -135.23 125.89 27.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.623 0.249 . . . . 0.0 110.345 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 26.7 ttt -121.01 132.96 55.22 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.289 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -123.39 131.34 73.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.04 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.41 130.61 5.92 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.23 155.25 25.03 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.977 -176.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.37 129.39 75.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.49 109.86 29.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.83 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . 0.44 ' O ' ' HA2' ' D' ' 29' ' ' GLY . 59.7 mt -101.31 109.53 25.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.099 -179.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.331 -0.842 . . . . 0.0 111.022 -176.247 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.801 0.334 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.53 41.87 3.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.212 0.53 . . . . 0.0 110.097 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -61.96 -37.03 83.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.569 -176.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -78.95 -40.3 32.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.823 0.344 . . . . 0.0 110.493 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -82.6 63.1 6.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.955 0.407 . . . . 0.0 111.032 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -104.4 134.78 47.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.459 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -150.43 149.01 29.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.568 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 54.5 m 60.09 31.08 20.44 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 123.602 0.563 . . . . 0.0 111.183 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.13 -9.0 46.22 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.08 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 62.94 27.81 16.08 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.41 0.624 . . . . 0.0 110.487 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -77.51 -59.53 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.631 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -90.68 143.58 10.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.82 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -108.01 0.39 21.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.333 0.587 . . . . 0.0 109.663 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -118.54 130.72 56.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.286 174.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -122.41 146.41 47.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.193 0.521 . . . . 0.0 111.641 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -143.9 -36.22 0.35 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.531 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.65 -42.29 92.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.499 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.03 -22.1 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.745 0.307 . . . . 0.0 111.577 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -85.84 -22.52 27.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.117 0.484 . . . . 0.0 110.354 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -87.81 -42.13 12.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.991 -178.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.51 142.28 27.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.495 -176.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 59.6 42.01 17.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.796 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.23 -46.43 88.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.365 176.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 50.2 t -72.52 -36.67 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.425 0.631 . . . . 0.0 109.655 177.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.28 -63.19 4.01 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.553 177.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 24.3 t 60.6 32.93 20.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.391 0.615 . . . . 0.0 110.176 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -92.95 -58.27 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.07 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -120.95 164.34 16.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.121 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' C' ' 41' ' ' ILE . . . 140.82 115.32 1.19 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.524 -178.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.77 127.6 35.61 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 63.4 mt -117.53 112.67 39.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.945 0.402 . . . . 0.0 110.83 -175.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -111.62 155.02 13.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.28 131.46 3.69 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.243 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 76.6 mt -107.51 126.35 52.42 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.9 mtm -113.39 121.53 44.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.478 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.59 126.69 55.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.11 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.93 167.75 28.82 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.882 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.13 142.53 9.47 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.942 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 26.1 t -123.94 131.23 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 81.4 t -125.4 113.88 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.694 0.283 . . . . 0.0 110.278 176.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 64.6 mt -111.64 109.58 29.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.094 177.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.669 -177.572 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.02 104.86 17.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.143 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -94.8 142.59 27.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.335 -177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -133.82 13.04 4.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.22 -175.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -78.58 43.13 0.46 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.237 0.542 . . . . 0.0 111.475 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -62.58 -40.77 97.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.3 0.571 . . . . 0.0 109.839 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -116.87 155.48 28.96 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.308 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.3 m -150.65 104.58 3.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.73 0.3 . . . . 0.0 110.247 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.69 108.7 1.81 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.465 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.42 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 44.1 p90 -140.09 152.51 46.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.097 0.475 . . . . 0.0 111.116 -177.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -138.93 144.94 39.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.715 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.8 m -107.25 134.46 48.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.308 0.575 . . . . 0.0 110.935 -176.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -130.31 145.78 51.82 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.454 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -154.93 148.61 25.42 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.97 0.414 . . . . 0.0 111.113 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -133.2 134.04 43.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.398 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -139.87 137.13 34.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.864 0.364 . . . . 0.0 110.957 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.7 mt -137.28 121.42 17.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.976 177.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -112.81 116.82 53.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -119.46 133.61 55.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.249 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -133.75 128.83 35.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.918 0.389 . . . . 0.0 110.237 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.42 129.84 41.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.34 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -110.85 155.92 21.89 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 57.93 55.94 5.02 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.268 0.355 . . . . 0.0 111.092 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.586 HG22 ' O ' ' A' ' 28' ' ' LYS . 29.0 m -78.75 52.65 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-O 121.302 0.573 . . . . 0.0 112.147 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.3 8.95 82.79 Favored Glycine 0 CA--C 1.509 -0.334 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 177.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.8 p -169.25 176.52 5.16 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -77.99 57.39 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.252 0.549 . . . . 0.0 109.722 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.586 ' O ' HG22 ' A' ' 24' ' ' VAL . 49.1 mtpt -141.02 139.28 34.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.027 -176.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.27 148.94 17.53 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.5 177.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.53 130.43 47.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.934 0.397 . . . . 0.0 111.166 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.1 tt -122.57 130.36 74.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.235 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.4 mt -122.53 121.61 64.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.502 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.87 128.18 7.78 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 176.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.9 tp -137.01 125.02 22.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.793 0.297 . . . . 0.0 110.476 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.6 ptp -143.98 141.18 30.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.721 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.08 136.36 33.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.506 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.58 135.65 10.64 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.817 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.74 141.33 12.67 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.509 -0.636 . . . . 0.0 111.509 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -129.01 131.72 67.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 117.049 0.424 . . . . 0.0 110.957 -176.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 59.9 t -91.96 110.8 23.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 174.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.5 mt -111.83 117.21 54.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.689 0.28 . . . . 0.0 111.523 -174.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.673 -0.679 . . . . 0.0 110.4 175.796 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.432 ' CG ' ' H ' ' B' ' 2' ' ' ALA . 1.9 p-10 . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 119.896 -0.097 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.432 ' H ' ' CG ' ' B' ' 1' ' ' ASP . . . 56.39 41.71 28.59 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.136 0.493 . . . . 0.0 111.092 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -73.92 98.69 3.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.9 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -86.02 74.46 10.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.353 0.597 . . . . 0.0 109.411 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -65.23 140.99 58.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.867 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -96.3 75.91 2.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.974 -176.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -74.62 99.67 3.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.155 -177.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 30.6 m -96.7 -18.49 19.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.72 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.74 73.37 2.63 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.306 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -71.09 101.89 2.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.815 0.341 . . . . 0.0 110.483 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -83.23 87.12 6.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.161 0.505 . . . . 0.0 110.093 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -92.53 -46.47 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.272 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -130.39 150.5 51.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.363 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -101.98 14.65 31.36 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -76.67 71.24 3.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.275 -176.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -99.14 -3.43 34.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.45 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.6 mt -74.01 -33.48 63.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.383 -177.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.17 -34.65 70.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.108 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -70.96 -16.99 62.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.154 0.502 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -88.17 -17.78 30.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.43 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.99 61.09 1.12 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.959 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -105.75 22.02 16.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.645 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.15 106.13 0.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.981 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -96.38 -29.69 3.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.07 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.73 -125.03 3.03 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.144 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.6 m -155.6 129.02 8.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.886 0.374 . . . . 0.0 110.699 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -80.05 131.99 35.89 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.881 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -79.96 131.53 35.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.022 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.6 95.19 0.46 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 121.058 -0.592 . . . . 0.0 111.658 177.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.0 134.24 33.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.872 0.368 . . . . 0.0 110.779 -177.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.491 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 38.0 mm -119.69 112.34 36.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.828 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -116.36 155.02 17.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.89 138.02 5.93 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.841 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.02 125.95 34.65 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 51.0 ttm -115.81 132.81 56.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.006 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.6 t -125.09 127.12 72.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.596 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.59 146.35 18.3 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.948 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.2 139.77 7.91 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.264 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -129.57 130.06 66.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 47.6 t -125.96 117.45 48.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 54.8 mt -116.64 123.11 71.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.959 177.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.778 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.942 -179.589 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.59 105.2 17.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.126 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -94.99 142.52 27.38 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.367 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -133.63 12.88 4.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.298 -175.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -78.47 43.64 0.48 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.145 0.498 . . . . 0.0 111.443 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -63.09 -40.81 98.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.286 0.565 . . . . 0.0 109.753 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -116.87 155.4 29.1 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.353 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 25.5 m -150.52 104.33 3.2 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.746 0.308 . . . . 0.0 110.269 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.67 108.24 1.74 Allowed Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.484 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' C' ' 40' ' ' VAL . 43.7 p90 -139.7 152.64 46.84 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.981 0.42 . . . . 0.0 111.128 -177.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -138.89 144.99 39.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.822 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 23.5 m -107.26 134.21 49.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.315 0.578 . . . . 0.0 111.009 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -130.03 146.71 51.72 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -155.7 148.52 24.23 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.802 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -133.5 134.06 42.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.529 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -139.69 136.92 34.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.807 0.337 . . . . 0.0 110.938 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 95.8 mt -137.16 121.18 17.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.018 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 60.7 t -112.66 117.02 54.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -119.6 133.62 55.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.239 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -133.75 128.8 35.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.107 0.479 . . . . 0.0 110.313 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.37 129.67 41.66 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.382 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -110.68 155.72 22.04 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 58.13 56.32 4.64 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.455 0.472 . . . . 0.0 110.997 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.579 HG22 ' O ' ' C' ' 28' ' ' LYS . 30.2 m -79.06 52.59 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.382 0.611 . . . . 0.0 112.109 -176.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.12 9.38 82.35 Favored Glycine 0 CA--C 1.509 -0.3 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 5.6 p -169.49 176.13 5.17 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -176.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -77.83 57.41 1.69 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.317 0.58 . . . . 0.0 109.588 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.579 ' O ' HG22 ' C' ' 24' ' ' VAL . 49.2 mtpt -140.91 139.32 34.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.96 -176.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.37 148.47 17.53 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.354 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.0 130.65 48.67 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.921 0.391 . . . . 0.0 111.138 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 12.2 tt -122.73 130.15 74.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.121 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 73.5 mt -122.43 121.85 64.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.422 -177.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 127.96 7.63 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 61.9 tp -136.81 125.08 23.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.737 0.303 . . . . 0.0 110.439 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 23.5 ptp -143.92 141.15 30.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.753 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 7.7 p -141.22 136.46 33.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.377 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.76 135.8 10.66 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.795 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.95 141.47 12.81 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 47.7 t -129.09 131.66 67.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' C' ' 10' ' ' TYR . 60.3 t -91.94 110.93 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 174.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 60.6 mt -111.69 117.75 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.475 0.179 . . . . 0.0 111.376 -174.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.692 -0.671 . . . . 0.0 110.512 175.621 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . 0.42 ' CG ' ' H ' ' D' ' 2' ' ' ALA . 1.7 p-10 . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 119.825 -0.131 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . 0.42 ' H ' ' CG ' ' D' ' 1' ' ' ASP . . . 56.56 41.77 28.13 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.099 0.476 . . . . 0.0 111.094 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -74.46 98.84 3.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.858 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -86.0 74.95 10.03 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -65.75 141.32 58.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.771 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -96.66 75.69 2.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.787 -176.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -74.33 99.58 3.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.165 -177.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 24.9 m -96.29 -18.64 19.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.224 0.535 . . . . 0.0 110.703 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.94 73.31 2.65 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.316 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -70.89 101.87 2.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.704 0.287 . . . . 0.0 110.443 177.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -83.19 86.58 7.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.286 0.565 . . . . 0.0 110.224 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 42.6 t -91.93 -46.5 14.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.298 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -130.33 150.5 51.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.312 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -101.7 14.52 31.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.18 0.514 . . . . 0.0 109.616 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -76.69 71.44 3.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.253 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -99.47 -2.93 34.77 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.591 177.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 79.0 mt -74.41 -33.41 62.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.426 -177.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.15 -34.82 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.095 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -70.78 -16.87 62.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.093 0.473 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -88.13 -18.01 29.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.338 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.86 61.08 1.13 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.938 0.399 . . . . 0.0 111.059 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -105.98 22.23 15.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.596 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.03 106.45 0.71 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.953 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 59.0 t -97.07 -29.03 3.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.285 0.565 . . . . 0.0 110.136 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.53 -124.9 3.26 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.973 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 52.4 m -155.72 129.13 8.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.781 0.324 . . . . 0.0 110.638 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -80.24 132.26 35.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.769 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -80.38 131.64 35.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.814 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.71 95.26 0.46 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.535 176.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.77 134.4 33.94 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.699 0.285 . . . . 0.0 110.654 -176.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 38.3 mm -119.94 112.26 36.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.868 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -116.3 155.21 17.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.758 0.313 . . . . 0.0 111.05 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.13 138.01 5.89 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.112 -0.566 . . . . 0.0 111.842 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.15 126.12 34.83 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 50.6 ttm -115.95 132.94 56.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 46.9 t -125.31 126.88 71.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.672 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.39 146.46 18.37 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.725 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.37 139.46 7.66 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.208 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -129.34 130.18 67.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -125.9 117.43 48.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . 0.491 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 54.7 mt -116.59 123.28 71.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.011 177.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.016 -179.338 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.17 134.01 54.2 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.262 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -80.36 99.16 7.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.974 0.416 . . . . 0.0 110.642 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -80.31 62.91 4.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.534 0.683 . . . . 0.0 109.611 177.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.476 ' HB3' ' OD1' ' A' ' 7' ' ' ASP . 65.1 mtp180 -104.7 136.59 43.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.516 -174.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -115.97 -9.76 11.71 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.682 0.754 . . . . 0.0 109.557 169.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.476 ' OD1' ' HB3' ' A' ' 5' ' ' ARG . 0.9 OUTLIER 55.21 51.34 13.37 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 113.853 -1.521 . . . . 0.0 112.587 172.696 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.6 m 62.84 46.81 4.83 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.67 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.22 71.34 2.46 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.589 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -148.19 152.54 37.42 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -135.07 134.62 40.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.98 -178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 p -94.88 136.89 24.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.279 0.561 . . . . 0.0 111.02 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -125.03 152.38 44.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.181 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -144.95 149.05 34.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.83 0.348 . . . . 0.0 110.732 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -143.09 132.08 22.94 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -132.17 138.95 48.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.901 0.382 . . . . 0.0 110.456 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.8 mt -134.31 128.16 33.21 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.67 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.8 m -122.11 132.0 71.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.968 0.413 . . . . 0.0 110.918 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.448 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 62.4 m-85 -123.55 131.07 53.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.854 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -124.0 111.34 15.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.132 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.5 129.29 54.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.866 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -129.05 -32.9 2.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.444 0.64 . . . . 0.0 110.456 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -83.91 4.59 28.85 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.322 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.6 m -87.42 0.87 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.656 -178.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.0 171.93 34.5 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.975 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -73.27 87.02 1.46 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.8 t30 57.47 55.99 5.32 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.012 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -123.83 144.69 49.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.402 -177.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.96 112.89 3.18 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.342 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.32 128.97 56.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.886 0.374 . . . . 0.0 110.134 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 59.8 mt -129.98 120.36 49.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.144 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.448 ' HB ' ' HB2' ' A' ' 19' ' ' PHE . 70.7 mt -117.8 123.31 71.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.197 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.18 127.23 6.56 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.643 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.4 mt -124.39 126.04 45.3 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtt -132.19 117.95 18.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.997 0.427 . . . . 0.0 110.827 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -116.36 131.77 67.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.475 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.81 130.8 7.56 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.29 164.53 26.22 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.369 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.6 t -138.66 127.27 29.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.751 0.31 . . . . 0.0 110.346 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 p -97.17 113.2 30.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.304 0.573 . . . . 0.0 109.822 174.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.0 mt -105.12 118.05 51.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.02 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.545 -178.843 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.31 37.86 3.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -82.21 61.65 5.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 109.996 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -82.67 109.94 17.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.178 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -132.65 147.5 52.34 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.314 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -89.5 74.77 7.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.034 0.445 . . . . 0.0 109.906 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.76 -32.78 46.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.827 -178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.3 m -137.38 144.32 42.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.185 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.43 139.69 4.44 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.222 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 57.94 51.21 9.25 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.146 0.498 . . . . 0.0 110.006 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -64.63 160.0 20.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.387 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 t 65.83 50.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 121.971 0.891 . . . . 0.0 109.701 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -112.44 96.29 5.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.862 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -152.31 138.38 18.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.181 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -87.48 136.75 32.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -112.22 77.03 1.01 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.511 175.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.99 -38.52 86.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 -175.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 p -63.54 -29.98 48.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.99 0.424 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -74.38 -33.87 63.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.531 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -87.84 -11.24 48.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.411 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.24 -54.43 4.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 53.42 59.39 4.4 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.373 0.421 . . . . 0.0 111.144 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -76.3 52.27 0.75 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.301 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 50.6 t -119.27 -75.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.806 0.336 . . . . 0.0 110.184 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.1 48.39 3.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.652 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -88.57 26.51 1.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.973 0.416 . . . . 0.0 111.12 -176.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -148.99 88.14 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.098 0.475 . . . . 0.0 110.047 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -112.43 14.1 20.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.01 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.25 162.51 29.49 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.637 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.15 139.76 21.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.897 0.38 . . . . 0.0 110.777 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 66.7 mt -120.36 113.03 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -117.07 155.75 18.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.929 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.37 130.45 3.08 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.005 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 62.7 tp -107.11 127.38 53.44 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 63.2 mtt -111.16 122.05 46.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.54 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 64.5 t -127.38 126.25 67.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 175.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . 0.441 ' O ' HD11 ' D' ' 34' ' ' LEU . . . -141.34 154.33 24.54 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.092 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.65 139.46 9.71 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.858 -0.686 . . . . 0.0 111.833 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 60.1 t -123.65 129.57 74.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.49 113.74 34.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.696 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 59.5 mt -116.85 109.16 26.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.71 0.291 . . . . 0.0 110.239 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.785 178.621 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.2 134.19 54.17 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.294 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -80.52 98.83 7.76 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.957 0.408 . . . . 0.0 110.624 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -79.76 63.5 4.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.515 0.674 . . . . 0.0 109.628 176.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . 0.482 ' HB3' ' OD1' ' C' ' 7' ' ' ASP . 64.9 mtp180 -105.25 136.76 44.18 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.651 -174.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -116.44 -9.57 11.44 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.436 0.636 . . . . 0.0 109.442 169.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . 0.482 ' OD1' ' HB3' ' C' ' 5' ' ' ARG . 0.8 OUTLIER 55.42 50.42 14.8 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 114.047 -1.433 . . . . 0.0 112.682 172.406 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 46.2 m 64.13 46.8 3.52 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.51 71.46 2.51 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.458 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -148.48 152.76 37.45 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 176.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -135.45 135.07 40.24 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.875 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 12.1 p -95.49 136.83 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.293 0.568 . . . . 0.0 110.951 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -125.06 153.11 43.4 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.059 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -146.0 148.67 32.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.936 0.398 . . . . 0.0 110.7 177.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -142.84 132.12 23.37 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -132.11 138.66 48.18 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.76 0.314 . . . . 0.0 110.484 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -133.93 128.31 34.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.774 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 15.8 m -122.13 132.03 71.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.977 0.418 . . . . 0.0 110.955 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.459 ' HB2' ' HB ' ' C' ' 32' ' ' ILE . 61.5 m-85 -123.62 130.81 53.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.945 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -123.78 110.96 15.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.218 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.31 129.31 54.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.855 0.359 . . . . 0.0 110.783 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -129.22 -32.86 1.98 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.455 0.645 . . . . 0.0 110.384 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -84.01 4.58 29.31 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.354 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 28.9 m -87.21 0.75 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.596 -178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.47 172.66 34.25 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.003 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -73.93 87.24 1.8 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 67.0 t30 57.1 55.95 5.62 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.171 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -123.77 144.52 49.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.294 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.63 113.17 3.29 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.34 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.39 128.83 56.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.927 0.394 . . . . 0.0 110.175 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 60.0 mt -130.01 120.3 49.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.168 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.459 ' HB ' ' HB2' ' C' ' 19' ' ' PHE . 70.0 mt -117.75 123.11 71.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.223 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.23 126.97 6.45 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.665 -0.778 . . . . 0.0 111.643 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 69.1 mt -124.14 126.57 46.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtt -133.04 117.49 17.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.014 0.435 . . . . 0.0 110.888 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 41.6 t -115.96 131.92 67.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.378 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.81 130.46 7.43 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 175.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.99 164.57 26.11 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.31 -0.947 . . . . 0.0 112.414 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 62.4 t -138.52 127.49 31.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.684 0.278 . . . . 0.0 110.307 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 p -97.28 112.99 30.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.291 0.567 . . . . 0.0 109.895 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 52.7 mt -105.06 117.61 51.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.109 -178.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.534 -178.596 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.87 37.48 4.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.152 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -81.99 61.59 5.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.602 0.715 . . . . 0.0 110.058 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -82.43 110.18 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.102 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -132.83 147.32 52.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.322 -177.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -89.15 75.22 7.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.154 0.502 . . . . 0.0 109.868 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -79.17 -32.37 44.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.833 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 22.0 m -137.85 144.5 41.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.332 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.14 139.48 4.43 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.182 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 58.39 50.84 8.9 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.141 0.496 . . . . 0.0 109.952 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -64.31 160.11 19.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.356 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 t 65.68 49.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 122.209 1.004 . . . . 0.0 109.717 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -111.77 96.05 5.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.799 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -151.88 138.35 18.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.363 -177.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -87.22 136.97 32.73 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -112.37 76.86 1.0 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.572 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.63 -38.91 86.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.077 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.26 -30.04 48.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.012 0.434 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -74.16 -34.07 63.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.595 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -87.8 -11.09 49.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.309 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.11 -55.02 4.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 53.88 59.39 4.31 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.46 0.475 . . . . 0.0 111.184 -178.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -76.31 52.56 0.77 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.312 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 50.4 t -119.33 -75.26 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.827 0.346 . . . . 0.0 110.141 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.47 48.95 3.15 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.807 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -88.89 26.41 1.55 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.023 0.44 . . . . 0.0 111.014 -176.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -148.77 87.75 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.226 0.536 . . . . 0.0 110.1 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -111.98 14.36 20.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.192 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.18 162.38 29.54 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.592 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.3 140.22 21.91 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.736 0.303 . . . . 0.0 110.731 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 67.4 mt -120.68 112.76 37.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 176.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -116.89 155.82 18.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.988 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.06 130.64 3.16 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.11 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.441 HD11 ' O ' ' B' ' 37' ' ' GLY . 63.1 tp -107.21 127.58 53.65 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 63.3 mtt -111.16 122.24 47.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.485 -177.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 66.3 t -127.93 125.85 65.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.97 154.72 24.6 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.229 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.9 139.65 9.8 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.973 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 58.0 t -123.65 129.42 74.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 62.1 t -126.23 113.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.792 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 59.7 mt -116.65 109.14 26.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.703 0.287 . . . . 0.0 110.288 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.238 -0.886 . . . . 0.0 109.915 178.756 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.91 49.53 7.72 Favored 'General case' 0 C--N 1.332 -0.164 0 O-C-N 123.828 0.705 . . . . 0.0 111.024 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -78.49 127.34 32.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.666 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -125.49 85.2 2.37 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -87.59 29.07 0.91 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.539 -175.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -119.87 33.53 5.58 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -83.68 -53.17 5.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.89 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -125.53 111.14 14.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.256 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.67 92.11 1.78 Allowed Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.968 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -134.61 153.3 52.03 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -105.62 149.02 26.69 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 m -116.59 133.88 61.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.222 0.534 . . . . 0.0 111.061 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -116.55 134.59 54.66 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.486 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 50.2 t60 -164.62 136.46 4.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -157.03 137.83 13.32 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.975 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -126.04 126.94 45.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -134.15 136.85 44.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.769 0.319 . . . . 0.0 111.174 -174.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.0 t -131.21 119.27 43.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.573 176.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -113.23 141.54 46.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.043 0.449 . . . . 0.0 110.9 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -94.69 127.67 40.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.583 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.19 163.33 29.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.904 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 68.4 -76.86 0.05 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.524 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.492 ' OD2' ' HG3' ' A' ' 28' ' ' LYS . 16.5 t70 -139.31 -76.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.425 -173.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.562 ' H ' ' HA3' ' A' ' 29' ' ' GLY . 23.6 t 64.61 61.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.892 0.853 . . . . 0.0 110.598 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.86 -116.83 0.77 Allowed Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.2 172.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.7 m -89.69 -42.66 11.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.87 0.367 . . . . 0.0 110.789 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -151.38 36.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.633 -176.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HG3' ' OD2' ' A' ' 23' ' ' ASP . 22.5 pttp -150.05 152.74 35.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.791 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.562 ' HA3' ' H ' ' A' ' 24' ' ' VAL . . . 119.32 -161.06 14.08 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.525 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.55 129.35 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.972 0.415 . . . . 0.0 110.559 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -124.11 123.9 67.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.893 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.8 pt -112.32 122.51 66.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.047 0.451 . . . . 0.0 110.453 177.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.41 129.11 7.02 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.869 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -133.95 139.56 46.19 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ptm -141.65 136.87 31.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.855 0.36 . . . . 0.0 110.703 176.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 14' ' ' HIS . 60.8 t -130.36 139.68 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.416 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.08 134.47 6.17 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.81 164.67 31.33 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.47 -0.871 . . . . 0.0 113.084 -177.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.36 130.47 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 122.615 0.366 . . . . 0.0 110.242 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.17 106.55 20.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.067 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 56.2 mt -100.19 105.48 17.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.526 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.466 -0.778 . . . . 0.0 110.489 -179.396 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.1 t70 . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 120.739 0.304 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.29 63.97 4.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.447 -177.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.481 ' OE1' ' HD3' ' B' ' 5' ' ' ARG . 42.3 tt0 -100.47 125.02 46.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.78 177.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -126.24 44.9 2.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.118 0.485 . . . . 0.0 110.066 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.481 ' HD3' ' OE1' ' B' ' 3' ' ' GLU . 60.4 mtp180 -82.33 54.72 2.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.882 -177.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -108.0 94.33 5.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.54 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -77.37 155.62 31.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.365 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 46.6 m -151.11 146.64 26.29 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.403 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.08 -88.12 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.189 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 61.51 40.45 13.71 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.273 0.558 . . . . 0.0 110.803 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -82.77 58.04 4.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.191 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.3 m -92.24 9.06 4.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.234 -177.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -90.7 137.27 32.49 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -125.31 66.25 1.14 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.117 0.484 . . . . 0.0 110.098 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -64.76 -41.73 95.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.274 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -68.88 -33.34 73.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.909 0.385 . . . . 0.0 110.441 -178.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.67 -30.97 71.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.983 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.1 -29.53 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.91 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -79.01 -19.01 52.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -87.52 -44.16 11.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.931 175.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -160.64 132.64 5.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.788 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -122.19 143.24 49.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.065 0.459 . . . . 0.0 111.409 -176.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -141.23 141.1 34.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.045 173.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.7 t -131.49 89.62 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.979 0.419 . . . . 0.0 110.116 -178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.58 -59.7 0.71 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.918 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 34.5 m -90.46 76.49 6.64 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.019 0.437 . . . . 0.0 110.33 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -95.08 142.41 27.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.279 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -154.51 149.79 27.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.179 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.26 104.56 2.32 Favored Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.72 125.84 19.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.056 0.455 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 65.8 mt -127.98 112.69 28.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.741 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.19 131.32 72.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.38 131.25 4.95 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.815 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.5 mt -115.38 143.93 44.55 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ptm -135.83 139.02 43.12 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.088 0.47 . . . . 0.0 110.889 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 11.9 p -149.15 147.16 16.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.899 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.77 176.7 41.18 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.273 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.83 147.0 16.3 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.159 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 58.3 t -122.86 129.85 74.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -125.54 115.77 44.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.132 0.492 . . . . 0.0 110.642 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.451 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 52.9 mt -117.68 123.0 71.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.477 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.322 -0.847 . . . . 0.0 109.907 176.855 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.49 50.38 7.56 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.69 0.619 . . . . 0.0 111.211 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -79.38 127.28 31.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.62 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -125.63 84.67 2.3 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -87.25 28.84 0.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.578 -175.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -119.68 33.8 5.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 175.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -84.11 -52.31 6.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.93 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 23.3 t -126.31 110.84 13.84 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.371 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.55 92.02 1.77 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.088 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -134.7 153.02 52.18 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -105.41 149.15 26.38 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 m -116.51 134.08 61.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.186 0.517 . . . . 0.0 111.075 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -116.57 134.68 54.55 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 50.1 t60 -164.57 136.49 4.53 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -157.01 137.84 13.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.036 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -126.1 126.68 44.58 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -133.77 137.2 45.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.774 0.321 . . . . 0.0 111.255 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 91.6 t -131.64 118.84 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.738 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -112.91 141.7 46.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.145 0.498 . . . . 0.0 110.901 -177.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -94.93 127.67 41.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.509 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.23 162.69 31.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.932 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 69.06 -77.15 0.05 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.176 0.591 . . . . 0.0 111.413 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.497 ' OD2' ' HG3' ' C' ' 28' ' ' LYS . 16.3 t70 -138.87 -75.7 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.588 -173.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.558 ' H ' ' HA3' ' C' ' 29' ' ' GLY . 23.5 t 64.29 61.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.723 0.773 . . . . 0.0 110.552 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.94 -116.79 0.78 Allowed Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.193 172.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 22.0 m -89.73 -42.8 11.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.805 0.336 . . . . 0.0 110.726 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -151.01 36.3 0.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.725 -176.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.497 ' HG3' ' OD2' ' C' ' 23' ' ' ASP . 22.5 pttp -149.9 153.0 35.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.737 -0.211 . . . . 0.0 110.701 -179.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . 0.558 ' HA3' ' H ' ' C' ' 24' ' ' VAL . . . 119.15 -160.89 14.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.443 177.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.58 129.37 51.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 110.456 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -124.13 123.74 67.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 32.3 pt -112.4 122.52 66.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.023 0.44 . . . . 0.0 110.428 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.39 129.55 7.19 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.798 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 70.7 mt -134.28 139.64 45.87 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -177.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ptm -141.66 137.03 31.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.487 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' C' ' 14' ' ' HIS . 60.1 t -130.46 139.54 51.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.344 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.7 135.0 6.51 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 177.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.52 164.44 31.59 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.232 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 57.4 t -125.88 130.56 72.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 122.519 0.328 . . . . 0.0 110.299 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 58.9 t -110.05 106.51 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.178 179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 55.6 mt -100.05 105.71 18.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.527 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.31 -179.545 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.72 0.295 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.5 64.13 4.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.025 0.441 . . . . 0.0 111.291 -177.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.491 ' OE1' ' HD3' ' D' ' 5' ' ' ARG . 42.2 tt0 -100.5 125.29 46.82 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.735 177.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -126.48 44.21 2.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.151 0.5 . . . . 0.0 110.131 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . 0.491 ' HD3' ' OE1' ' D' ' 3' ' ' GLU . 60.4 mtp180 -81.64 54.29 2.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.116 -177.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -107.77 94.29 5.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.564 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -77.26 156.08 31.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.481 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 42.3 m -151.83 145.95 25.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.521 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.26 -88.34 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.235 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 62.01 40.14 12.52 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.286 0.565 . . . . 0.0 110.776 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -82.42 57.58 3.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.296 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 34.2 m -92.12 9.26 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.265 -177.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -90.73 137.0 32.7 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -124.87 66.18 1.11 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.04 0.448 . . . . 0.0 110.343 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -64.09 -42.1 97.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.425 -177.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -68.79 -33.2 73.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.889 0.376 . . . . 0.0 110.414 -178.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 50.8 tp -62.89 -30.93 71.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.835 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.14 -29.94 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.747 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -78.5 -19.15 53.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -87.46 -43.5 12.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.002 0.429 . . . . 0.0 110.115 175.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.12 133.08 5.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.752 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -122.53 143.06 49.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.123 0.487 . . . . 0.0 111.411 -176.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -141.24 141.42 34.01 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 173.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 38.7 t -131.69 89.36 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.031 0.443 . . . . 0.0 110.19 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.3 -59.09 0.73 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.64 -0.79 . . . . 0.0 111.809 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 37.2 m -91.09 76.46 6.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.134 0.492 . . . . 0.0 110.291 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -94.94 142.43 27.48 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.376 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -154.71 149.54 26.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.291 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.57 103.99 2.26 Favored Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 111.489 -0.645 . . . . 0.0 111.489 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.15 126.02 20.95 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.023 0.439 . . . . 0.0 110.821 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.451 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 65.9 mt -128.12 112.74 27.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.668 176.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.24 131.51 71.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.52 131.34 4.96 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.951 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -115.56 143.61 45.08 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ptm -135.58 139.15 43.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 11.9 p -149.19 146.92 16.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.944 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.69 177.04 41.06 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.377 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.08 146.95 16.16 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.207 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.91 129.88 74.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 m -125.66 115.64 43.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.073 0.463 . . . . 0.0 110.663 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 52.8 mt -117.73 123.19 71.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.497 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.973 176.861 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 120.607 0.241 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.04 26.53 4.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.437 ' CD ' ' HE ' ' A' ' 5' ' ' ARG . 9.9 tp10 -162.33 143.29 10.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.959 -177.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -166.52 113.72 0.85 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.097 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.437 ' HE ' ' CD ' ' A' ' 3' ' ' GLU . 80.7 mtt180 -134.17 112.51 11.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.866 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -93.86 -43.53 8.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -176.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -109.44 -171.39 1.83 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.98 -174.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.3 t 66.34 38.24 4.5 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.002 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.28 -54.12 0.27 Allowed Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.331 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -158.04 160.0 36.95 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.613 -0.345 . . . . 0.0 111.007 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -145.19 136.83 25.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.511 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.2 m -98.06 152.32 4.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -135.0 147.53 49.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.627 0.251 . . . . 0.0 110.608 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -154.96 141.26 18.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.547 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -154.95 154.58 32.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.102 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -141.77 140.66 33.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.251 179.459 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.6 mt -134.29 135.42 42.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.029 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -124.88 125.24 69.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.868 0.366 . . . . 0.0 110.613 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.463 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 68.6 m-85 -115.04 142.38 46.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.67 177.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -134.74 133.31 39.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.317 -175.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HB3' ' OD1' ' A' ' 23' ' ' ASP . . . -137.73 133.89 34.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.314 -177.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -108.06 3.11 23.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.281 0.562 . . . . 0.0 110.303 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.412 ' OD1' ' HB3' ' A' ' 21' ' ' ALA . 9.0 p-10 -95.88 10.56 36.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.58 -174.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -85.53 68.33 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-O 122.4 1.095 . . . . 0.0 110.55 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.59 -164.0 12.23 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.634 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.7 m -71.68 -50.27 32.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.913 0.387 . . . . 0.0 110.204 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -151.06 78.96 1.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.05 0.452 . . . . 0.0 110.592 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -141.54 155.59 45.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.733 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.97 135.51 11.46 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.318 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.3 129.47 56.27 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.826 0.346 . . . . 0.0 110.621 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.7 mt -115.36 117.99 57.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.849 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.463 ' HB ' ' HB2' ' A' ' 19' ' ' PHE . 50.7 mt -113.01 115.04 48.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.106 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.8 128.14 7.88 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.27 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -121.23 127.14 51.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.692 0.282 . . . . 0.0 110.283 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 85.1 mtp -123.8 120.95 34.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.404 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -119.28 134.01 64.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.767 0.318 . . . . 0.0 110.693 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.91 137.63 6.18 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.22 171.29 38.07 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.116 -1.04 . . . . 0.0 112.835 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.1 t -127.31 128.3 70.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t -112.39 109.45 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.328 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.3 mt -101.92 128.03 54.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.954 177.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.179 -175.288 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.6 46.26 12.18 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.238 -175.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -62.59 132.24 51.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.851 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -106.87 -24.91 11.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.197 0.522 . . . . 0.0 109.778 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -72.93 109.28 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.369 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 33.0 m170 60.72 37.87 18.7 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.998 176.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -97.61 -65.79 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.035 0.445 . . . . 0.0 110.468 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 12.3 p -88.77 -67.68 0.82 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.116 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.0 -145.36 11.92 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.089 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -85.22 79.76 9.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.868 0.366 . . . . 0.0 110.467 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -86.22 138.46 31.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.077 0.465 . . . . 0.0 111.082 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.8 m -122.79 33.49 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.309 174.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -82.34 65.24 7.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.881 -174.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -95.0 75.5 3.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.37 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -139.01 -69.46 0.43 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.565 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -87.93 26.09 1.42 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.515 -172.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.92 -36.49 80.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.98 0.419 . . . . 0.0 110.11 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 23.0 m -74.56 -23.6 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.862 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -78.42 -20.25 51.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.341 0.591 . . . . 0.0 109.783 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -87.73 -12.03 46.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.061 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.8 68.36 7.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.718 -175.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -73.34 118.73 16.65 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.023 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -92.54 23.16 4.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.333 0.587 . . . . 0.0 110.275 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.83 157.01 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.283 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -126.15 -156.26 9.2 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.667 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -97.9 166.38 11.48 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -168.29 101.43 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 65.86 56.4 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.722 0.639 . . . . 0.0 109.956 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.43 -44.48 77.15 Favored Glycine 0 N--CA 1.451 -0.3 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.769 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -169.92 126.96 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.358 . . . . 0.0 110.744 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.528 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 48.3 mm -119.58 112.76 38.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.34 133.86 49.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.944 0.402 . . . . 0.0 110.386 -178.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.55 132.92 5.34 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.965 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -118.79 132.04 56.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.81 0.338 . . . . 0.0 110.285 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ttt -128.43 121.92 30.11 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 50.9 t -109.21 126.33 66.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.12 135.64 8.93 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.471 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.66 139.95 10.11 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.373 -0.918 . . . . 0.0 112.297 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 27.0 m -121.82 131.23 73.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.105 0.478 . . . . 0.0 110.699 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -124.72 113.6 36.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.642 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 70.6 mt -113.93 110.58 32.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.387 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.775 179.143 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.485 1.283 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.77 26.21 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.861 0.363 . . . . 0.0 110.923 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.434 ' CD ' ' HE ' ' C' ' 5' ' ' ARG . 9.9 tp10 -161.71 144.08 11.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.85 -178.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -166.94 113.79 0.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.24 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . 0.434 ' HE ' ' CD ' ' C' ' 3' ' ' GLU . 80.3 mtt180 -134.13 112.4 11.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.905 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -93.72 -44.0 8.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -176.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.06 -171.5 1.86 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.882 -174.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 24.5 t 66.67 38.45 3.97 Favored 'General case' 0 C--O 1.231 0.104 0 O-C-N 123.783 0.677 . . . . 0.0 109.812 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.68 -54.08 0.26 Allowed Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.298 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -157.41 160.88 38.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.952 0.405 . . . . 0.0 111.084 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -146.0 136.4 23.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.499 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 17.5 m -97.25 152.34 4.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.373 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -135.16 147.26 49.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.605 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -154.57 141.61 19.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.52 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -155.16 154.58 32.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.124 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' C' ' 16' ' ' LYS . 0.0 OUTLIER -141.76 140.37 33.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.483 179.456 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 91.1 mt -134.08 135.48 43.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.913 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -125.07 125.69 69.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.883 0.373 . . . . 0.0 110.422 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.451 ' HB2' ' HB ' ' C' ' 32' ' ' ILE . 68.9 m-85 -115.59 142.39 46.8 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 177.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -134.74 133.44 39.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.276 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . 0.415 ' HB3' ' OD1' ' C' ' 23' ' ' ASP . . . -137.75 133.74 34.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.236 -177.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -107.72 2.94 24.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.329 0.585 . . . . 0.0 110.311 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.415 ' OD1' ' HB3' ' C' ' 21' ' ' ALA . 9.2 p-10 -95.89 10.81 35.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.565 -174.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -85.73 68.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 122.379 1.085 . . . . 0.0 110.655 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.82 -163.88 12.28 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.49 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 19.2 m -71.93 -49.93 33.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.828 0.347 . . . . 0.0 110.248 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -151.17 79.51 1.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.598 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -141.75 155.65 45.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.783 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.62 135.38 11.47 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.197 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.19 129.59 56.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.897 0.379 . . . . 0.0 110.649 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 47.1 mt -115.42 117.68 56.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.901 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.451 ' HB ' ' HB2' ' C' ' 19' ' ' PHE . 51.1 mt -112.85 115.13 48.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.044 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.91 128.24 7.92 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.372 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -121.45 126.79 50.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.683 0.278 . . . . 0.0 110.37 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 85.9 mtp -123.54 121.04 34.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.423 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -119.38 134.05 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.734 0.302 . . . . 0.0 110.642 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.74 137.49 6.12 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.15 171.29 38.01 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.803 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 46.9 t -127.18 128.51 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 88.7 t -112.63 109.51 28.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.266 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 41.1 mt -102.02 127.95 55.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.027 177.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.989 -175.335 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.63 46.59 11.66 Favored 'General case' 0 C--O 1.23 0.072 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.26 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -62.81 132.24 51.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.842 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -106.86 -24.67 11.98 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.261 0.553 . . . . 0.0 109.867 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -73.04 108.94 6.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.37 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 33.2 m170 61.14 37.58 17.53 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.935 176.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -97.36 -66.04 0.93 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.999 0.428 . . . . 0.0 110.484 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 12.3 p -88.66 -67.59 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.17 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.97 -145.45 12.08 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.057 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -85.11 79.48 9.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.866 0.365 . . . . 0.0 110.503 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -85.97 138.54 31.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.123 0.487 . . . . 0.0 110.994 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 25.1 m -122.95 33.22 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.278 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -82.04 66.08 7.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.67 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -95.75 75.67 3.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.45 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -139.5 -69.15 0.42 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.603 -177.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -88.16 25.68 1.56 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.561 -172.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 81.7 mt -67.45 -36.67 81.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.048 0.451 . . . . 0.0 110.045 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 m -74.23 -23.52 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.837 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -78.81 -20.09 50.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.291 0.567 . . . . 0.0 109.808 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -87.91 -11.97 46.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.065 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.74 68.52 7.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.665 -175.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -73.4 118.42 16.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.006 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -92.21 23.46 3.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.34 0.59 . . . . 0.0 110.313 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 34.7 m -68.08 157.01 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.195 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -125.82 -155.99 9.15 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.807 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 27.7 t -98.29 165.53 11.82 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -167.45 101.43 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.873 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 65.81 56.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.726 0.641 . . . . 0.0 109.955 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.2 -44.65 74.72 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.713 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -169.7 126.85 0.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.767 0.318 . . . . 0.0 110.848 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 mm -119.71 112.8 38.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.56 133.76 49.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.939 0.4 . . . . 0.0 110.376 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.52 133.16 5.46 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.754 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 89.5 mt -119.16 131.98 55.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.862 0.363 . . . . 0.0 110.175 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ttt -128.38 121.91 30.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 51.0 t -109.09 126.24 66.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.07 135.54 8.88 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.375 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.67 139.79 9.97 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.353 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -121.77 131.31 73.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.06 0.457 . . . . 0.0 110.596 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -124.8 113.54 36.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.768 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . 0.528 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 70.3 mt -113.99 110.74 33.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.487 -0.768 . . . . 0.0 109.839 179.097 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.777 0.322 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.43 125.55 29.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.401 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 60.69 37.28 19.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.112 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -141.32 131.94 25.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.666 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -144.96 142.45 29.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.978 0.418 . . . . 0.0 110.806 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -154.51 -58.91 0.11 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.633 176.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -97.11 -43.78 7.25 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.318 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.3 p -84.05 146.11 28.12 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.665 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.56 -63.33 0.49 Allowed Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -162.43 152.48 16.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -113.42 145.23 41.48 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -124.8 113.89 38.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.16 0.505 . . . . 0.0 110.486 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -117.93 134.3 55.09 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -151.23 136.8 17.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.93 0.395 . . . . 0.0 110.851 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -138.63 172.99 12.06 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.71 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -146.75 157.72 43.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.909 0.385 . . . . 0.0 110.221 177.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.8 tp -139.57 132.4 29.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.863 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 p -134.22 124.74 46.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.014 0.435 . . . . 0.0 109.971 177.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -132.1 130.51 41.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.391 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -111.41 129.59 55.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.204 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.6 128.2 40.56 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -113.38 -12.86 12.94 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.361 0.601 . . . . 0.0 109.591 176.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -86.68 61.95 7.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.733 0.778 . . . . 0.0 109.202 176.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.0 m -96.07 -4.2 10.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.662 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.87 25.26 8.11 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -175.54 164.49 3.09 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -176.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -74.27 64.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.809 0.337 . . . . 0.0 110.586 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -133.51 143.83 49.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.153 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.64 122.49 6.64 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.685 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.47 129.27 56.09 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.003 0.43 . . . . 0.0 110.891 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.3 mt -112.93 115.44 49.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.176 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 32' ' ' ILE . 3.5 mp -102.85 115.07 44.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.36 135.42 10.93 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.105 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 tp -143.34 143.24 31.58 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ttt -145.25 122.88 11.79 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 175.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.1 t -124.51 136.36 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.922 0.392 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.51 133.9 6.82 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.41 138.41 10.48 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.456 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.8 t -113.76 122.26 67.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.4 t -109.01 109.5 28.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp -92.21 131.06 40.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.501 -0.761 . . . . 0.0 110.959 -177.933 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 110.738 -0.097 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.03 45.97 26.49 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.455 0.472 . . . . 0.0 111.222 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 68.13 65.83 0.35 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.755 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.09 117.46 4.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.816 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -67.2 108.58 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.177 0.513 . . . . 0.0 111.292 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -80.83 -20.81 41.6 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 169.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -69.69 100.33 1.47 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.482 169.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 12.4 t -166.55 -172.92 2.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.845 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.52 -40.15 1.35 Allowed Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -178.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -100.86 -36.2 9.15 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -83.23 58.63 4.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.657 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.6 m -135.99 166.1 27.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -151.41 97.83 2.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.324 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . 0.413 ' O ' ' HG3' ' B' ' 16' ' ' LYS . 36.8 m80 -119.21 -11.33 9.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.737 -178.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -72.53 112.93 9.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.002 0.43 . . . . 0.0 110.481 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' B' ' 14' ' ' HIS . 41.5 mttp -121.46 -11.96 8.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.564 -177.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.7 tp -60.21 -28.68 68.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.487 -174.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 50.1 t -61.89 -37.56 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.106 0.479 . . . . 0.0 110.689 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -86.0 -14.23 45.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.527 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -87.27 -38.48 16.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.551 -173.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.05 148.41 36.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.296 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 62.76 52.25 2.81 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 123.878 0.736 . . . . 0.0 109.912 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -90.2 159.96 16.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.564 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.2 p -139.88 3.78 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.717 178.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.68 -27.47 0.02 OUTLIER Glycine 0 CA--C 1.522 0.531 0 C-N-CA 119.644 -1.265 . . . . 0.0 114.355 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 37.9 t -69.5 -20.28 63.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.373 0.587 . . . . 0.0 111.406 -174.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -60.17 -41.04 92.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.567 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -162.59 141.83 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.595 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.47 116.55 3.6 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.996 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.62 142.84 20.38 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 68.4 mt -124.77 120.98 60.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.8 0.334 . . . . 0.0 110.494 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.33 131.16 69.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.117 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.59 131.05 6.35 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.028 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.0 mt -107.57 135.73 48.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.817 0.341 . . . . 0.0 110.145 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 67.9 mtm -124.58 121.22 34.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.168 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -124.85 135.37 64.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.09 176.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.78 165.94 31.73 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.34 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.18 141.44 6.9 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.695 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.3 130.19 74.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -122.06 115.27 45.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.899 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 53.2 mt -108.6 108.98 26.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.006 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.913 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 120.837 0.351 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.68 125.41 29.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.427 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 60.66 37.49 19.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.059 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -141.41 131.57 24.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.66 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -144.87 141.89 29.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -153.85 -59.02 0.12 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.596 176.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -97.28 -43.57 7.27 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.301 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 10.9 p -84.3 145.67 28.15 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.535 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.4 -63.05 0.48 Allowed Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -162.49 152.45 16.28 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -113.49 145.28 41.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -124.57 113.52 36.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.964 0.411 . . . . 0.0 110.572 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -117.41 134.63 54.62 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -151.61 136.87 17.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.812 0.339 . . . . 0.0 110.803 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -138.67 173.46 11.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.706 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -147.16 157.66 43.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.823 0.344 . . . . 0.0 110.187 177.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 tp -139.58 132.64 29.55 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.817 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 p -134.58 124.41 44.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.236 0.541 . . . . 0.0 110.117 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -131.85 130.58 41.89 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.411 -177.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -111.68 129.37 56.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.064 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.52 128.27 40.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.448 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -113.33 -12.61 13.01 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.424 0.63 . . . . 0.0 109.458 175.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -86.73 61.39 6.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.685 0.755 . . . . 0.0 109.345 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 35.8 m -95.64 -3.75 10.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.634 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.5 24.32 8.89 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.426 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -174.39 164.73 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -177.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -74.23 64.18 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.742 0.305 . . . . 0.0 110.924 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -133.08 144.06 49.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.174 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.02 122.56 6.59 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.488 178.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.56 129.25 56.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.001 0.429 . . . . 0.0 110.878 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 84.1 mt -113.01 115.51 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.215 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.409 ' N ' HD12 ' C' ' 32' ' ' ILE . 3.5 mp -102.78 114.96 43.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.3 135.4 10.94 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.068 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 tp -143.33 143.34 31.64 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ttt -145.32 122.81 11.7 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 175.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.62 136.12 61.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.822 0.344 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.54 133.5 6.59 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.38 138.7 10.87 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.464 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 44.9 t -114.2 122.33 68.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 61.7 t -109.04 109.49 28.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.994 -177.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp -92.31 130.76 40.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.61 -0.71 . . . . 0.0 110.949 -177.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 110.809 -0.071 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.86 46.32 25.95 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.347 0.405 . . . . 0.0 111.143 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 67.92 65.57 0.37 Allowed 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.859 0.724 . . . . 0.0 109.909 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -58.98 117.61 4.87 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.665 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -67.55 108.61 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.241 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -80.74 -20.73 42.12 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 169.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -69.76 100.26 1.48 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.623 -1.172 . . . . 0.0 109.529 169.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -166.59 -172.89 2.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.891 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.35 -40.61 1.32 Allowed Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -100.4 -36.3 9.28 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -83.28 58.62 4.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.633 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.75 166.51 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.036 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -151.65 97.63 2.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.413 174.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . 0.404 ' O ' ' HG3' ' D' ' 16' ' ' LYS . 36.7 m80 -118.96 -10.91 9.77 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.758 -178.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -72.54 112.77 8.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.507 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' D' ' 14' ' ' HIS . 41.4 mttp -121.41 -11.63 8.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.618 -177.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 36.4 tp -60.36 -28.85 68.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.505 -174.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 50.0 t -61.68 -37.68 78.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.112 0.482 . . . . 0.0 110.721 178.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -86.0 -14.16 45.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.487 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -87.21 -38.65 16.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.531 -173.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.16 148.01 35.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.09 -177.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 63.29 52.35 2.45 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.903 0.858 . . . . 0.0 109.781 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -90.28 160.02 16.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.493 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -140.04 3.66 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.786 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.9 -26.55 0.02 OUTLIER Glycine 0 C--N 1.336 0.553 0 C-N-CA 119.771 -1.204 . . . . 0.0 114.375 -176.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -70.0 -20.76 63.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.302 0.551 . . . . 0.0 111.567 -174.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -59.84 -41.44 91.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.546 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -162.04 142.43 10.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.563 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.52 116.77 3.75 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.02 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.07 142.78 19.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 68.4 mt -124.77 121.18 60.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.695 0.283 . . . . 0.0 110.453 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.63 130.96 69.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.009 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.37 131.06 6.4 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.192 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -107.52 135.78 48.4 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtm -124.57 121.22 34.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.204 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 28.5 m -124.89 135.32 64.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 176.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.02 165.81 31.81 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.361 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.98 141.29 6.82 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.694 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -120.4 129.99 74.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 59.2 t -121.85 115.52 46.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.94 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 53.9 mt -108.8 109.32 27.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.559 -0.734 . . . . 0.0 110.127 179.884 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.8 t70 . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.718 0.294 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.2 -176.88 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.809 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 60.28 62.79 1.51 Allowed 'General case' 0 C--O 1.231 0.118 0 O-C-N 123.718 0.636 . . . . 0.0 110.932 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -69.95 148.8 48.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.105 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -147.98 82.75 1.5 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.52 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.4 m170 69.08 -61.49 0.43 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.584 -175.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 48.14 47.56 19.14 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.74 0.65 . . . . 0.0 111.549 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 p -77.61 83.21 4.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.919 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.83 46.02 3.26 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.858 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.504 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 47.5 p90 -155.96 152.9 28.77 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -133.19 129.22 37.49 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.061 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.8 m -103.73 122.5 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.311 0.577 . . . . 0.0 110.604 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -115.48 135.78 53.75 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.135 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -142.16 136.08 29.62 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.091 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -140.75 143.35 34.9 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.073 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -140.19 128.4 22.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.076 0.465 . . . . 0.0 110.721 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.8 mt -130.49 127.76 39.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.985 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.6 t -128.01 121.99 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.995 0.426 . . . . 0.0 110.274 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -124.37 139.61 53.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.99 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -127.87 140.04 52.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.932 0.396 . . . . 0.0 111.045 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.16 139.19 53.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.733 176.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -95.59 -19.74 19.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.354 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -136.9 97.63 3.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.389 0.614 . . . . 0.0 110.731 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.24 -6.26 9.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.302 174.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.16 90.5 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.214 -177.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.7 m 69.86 54.13 0.37 Allowed 'General case' 0 C--O 1.234 0.262 0 C-N-CA 122.979 0.512 . . . . 0.0 111.207 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 70.24 19.31 6.63 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.9 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -92.08 138.88 31.17 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.42 144.53 17.1 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.493 -173.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.21 134.84 33.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.828 0.347 . . . . 0.0 110.447 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tt -125.15 130.67 73.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.206 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.4 pt -118.6 132.37 68.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.881 -177.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.61 127.56 6.04 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.399 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.5 mt -126.98 135.54 51.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.8 ttm -139.81 126.59 20.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.14 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.6 t -124.76 133.8 68.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.469 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.83 130.16 6.2 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.6 149.72 20.48 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.131 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.5 t -125.26 120.12 57.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.851 0.358 . . . . 0.0 110.246 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.504 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 61.4 t -94.6 106.33 18.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.631 176.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.4 mt -106.01 138.84 29.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.545 -177.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.267 175.576 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.22 49.39 2.63 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 123.586 0.554 . . . . 0.0 110.333 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -79.03 58.99 2.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.473 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 45.6 t80 57.55 85.01 0.09 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.275 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 69.21 9.05 7.16 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.203 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -92.19 -1.55 57.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.199 0.523 . . . . 0.0 109.691 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -119.13 -66.89 1.03 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.963 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m -93.02 144.62 25.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.437 -175.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.07 132.08 1.65 Allowed Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -88.19 101.46 13.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.965 0.412 . . . . 0.0 111.248 -176.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -83.91 -29.85 26.81 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 174.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 p -81.76 138.41 19.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.899 176.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -166.25 173.58 9.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.651 -177.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -145.29 52.79 1.19 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.673 0.749 . . . . 0.0 110.03 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -97.65 122.6 40.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.438 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt 56.91 44.3 23.32 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.716 0.635 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 52.6 tp -69.41 -32.93 72.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.181 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.4 -21.2 28.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.271 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -69.43 -35.94 76.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.17 0.51 . . . . 0.0 110.205 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -87.82 -33.83 18.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.333 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.33 60.17 5.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.004 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -117.57 130.47 56.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.992 177.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -130.43 -10.37 4.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.924 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.6 t -90.65 111.05 22.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.236 0.541 . . . . 0.0 110.872 -175.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.07 9.18 6.31 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 176.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 21.3 p -88.99 3.96 49.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.854 0.359 . . . . 0.0 111.499 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -77.78 112.82 15.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.068 0.461 . . . . 0.0 111.135 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -93.85 42.67 1.1 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.824 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 150.15 177.54 24.23 Favored Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.475 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.97 138.05 8.94 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 61.1 mt -122.6 122.49 66.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.783 0.325 . . . . 0.0 110.472 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pp -117.41 153.08 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.526 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.52 130.09 3.82 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.081 -0.581 . . . . 0.0 111.846 176.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -111.41 125.35 53.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 63.3 mtm -119.22 122.42 41.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.436 -176.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 13.8 p -132.25 141.34 45.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.907 0.384 . . . . 0.0 110.244 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.19 151.54 23.13 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.195 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.07 147.06 19.02 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.855 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 p -139.45 130.18 32.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.941 0.401 . . . . 0.0 110.796 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -127.53 125.04 64.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.156 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 12.9 tt -117.71 124.49 73.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.972 0.415 . . . . 0.0 110.735 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.707 179.341 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.723 0.297 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.68 -176.82 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.635 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 60.17 62.84 1.53 Allowed 'General case' 0 C--N 1.332 -0.154 0 O-C-N 123.739 0.649 . . . . 0.0 111.006 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -70.01 149.16 48.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -148.4 82.52 1.48 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.607 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 34.4 m170 69.47 -61.16 0.45 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.637 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 47.75 47.71 17.89 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.669 0.606 . . . . 0.0 111.567 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.9 p -77.95 82.63 4.3 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.868 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.24 45.92 3.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.024 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.502 ' HA ' ' O ' ' C' ' 40' ' ' VAL . 47.9 p90 -155.92 152.78 28.67 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -133.19 129.36 37.69 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 m -103.72 122.11 56.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.465 0.65 . . . . 0.0 110.804 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -114.98 135.77 53.85 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.179 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -142.15 136.62 30.2 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.987 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -141.15 143.5 34.29 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.115 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -140.52 128.09 21.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 88.4 mt -130.25 127.82 40.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.998 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -128.37 121.7 56.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.287 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -124.1 139.62 53.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.982 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -127.78 140.25 52.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.216 0.531 . . . . 0.0 111.241 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.21 139.54 53.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.631 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -95.94 -20.01 19.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.137 -176.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -136.66 97.94 3.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.311 0.577 . . . . 0.0 110.792 177.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.38 -6.36 9.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.325 174.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.35 91.07 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.193 -177.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 47.8 m 69.01 54.57 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 122.989 0.515 . . . . 0.0 111.228 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 69.89 19.77 6.9 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.956 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -92.56 138.81 31.19 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.289 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.28 144.27 16.99 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.587 -173.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.83 134.78 33.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.747 0.308 . . . . 0.0 110.369 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tt -124.91 130.74 73.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.144 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 24.0 pt -118.7 132.35 68.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.828 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.47 127.4 6.02 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.535 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -126.72 135.43 51.1 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 49.6 ttm -139.66 126.59 20.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.865 0.364 . . . . 0.0 110.176 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 81.7 t -124.72 133.54 69.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.433 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.34 130.15 6.29 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.43 150.15 20.62 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.151 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -125.6 120.12 56.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.757 0.313 . . . . 0.0 110.252 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' C' ' 10' ' ' TYR . 61.3 t -94.76 106.23 17.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.617 176.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 60.9 mt -105.87 138.76 29.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.627 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.497 -0.764 . . . . 0.0 110.158 175.379 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.22 49.32 2.65 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.645 0.59 . . . . 0.0 110.368 -179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -78.84 58.89 2.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.363 -177.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 46.4 t80 57.72 85.08 0.09 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.215 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 69.06 9.22 7.29 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.202 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -92.07 -2.2 56.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.224 0.535 . . . . 0.0 109.669 178.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -118.61 -67.14 1.01 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.003 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 51.1 m -92.79 144.94 24.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.383 -175.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.63 131.73 1.57 Allowed Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -88.19 101.49 13.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.027 0.441 . . . . 0.0 111.317 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -83.87 -29.68 27.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.299 174.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 p -81.98 138.38 19.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.985 176.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -166.28 173.79 9.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.582 -177.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -145.34 52.79 1.19 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.555 0.693 . . . . 0.0 110.022 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -97.73 122.08 40.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.489 -176.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 57.66 44.01 21.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.318 0.58 . . . . 0.0 110.77 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 52.4 tp -69.17 -33.01 72.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.201 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 27.6 m -66.34 -21.15 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.239 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -69.57 -35.75 75.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.226 0.536 . . . . 0.0 110.231 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -87.84 -33.95 18.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.377 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.32 60.4 5.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.977 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -117.59 130.78 56.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.997 177.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -130.64 -10.37 3.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.9 -177.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 58.7 t -90.6 111.15 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 121.113 0.482 . . . . 0.0 110.784 -175.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.99 8.86 6.36 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.574 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 18.6 p -89.04 4.01 49.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.857 0.36 . . . . 0.0 111.367 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -77.84 112.4 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.88 0.371 . . . . 0.0 111.109 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -93.6 42.59 1.1 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.759 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 150.51 177.96 24.93 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.515 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -161.35 137.95 8.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.608 0.242 . . . . 0.0 110.45 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 61.5 mt -122.54 122.51 66.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.763 0.316 . . . . 0.0 110.568 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pp -117.41 152.94 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.509 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.28 130.34 3.94 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 121.126 -0.559 . . . . 0.0 111.892 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 92.3 mt -111.67 125.66 54.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 64.1 mtm -119.67 122.27 41.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.475 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 13.9 p -131.97 141.81 44.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.784 0.326 . . . . 0.0 110.261 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.4 152.17 23.69 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.227 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.38 147.02 18.99 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.922 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 p -139.49 130.13 32.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.993 0.425 . . . . 0.0 110.919 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 p -127.45 124.92 64.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.221 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 tt -117.68 124.28 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.088 0.471 . . . . 0.0 110.891 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.676 179.478 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.96 34.22 21.53 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.753 0.658 . . . . 0.0 110.942 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -105.4 -24.32 12.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.532 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -68.18 -49.13 62.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.848 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -86.02 71.27 10.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.475 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -88.36 -16.79 32.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.571 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -84.54 151.45 24.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.058 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.441 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 50.7 m -148.31 -76.13 0.17 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.939 -175.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.08 56.04 3.59 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.621 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 8' ' ' SER . 37.2 p90 -149.11 157.64 43.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.636 -0.332 . . . . 0.0 110.661 176.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.47 ' O ' ' HA ' ' A' ' 39' ' ' VAL . 42.6 mt-10 -118.46 136.47 53.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.6 176.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.8 p -118.32 118.43 58.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.416 0.627 . . . . 0.0 110.146 175.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -116.65 151.87 35.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.353 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -139.32 146.57 40.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 0.0 111.072 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -138.98 134.26 32.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.56 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -131.74 128.16 38.31 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.823 0.344 . . . . 0.0 111.144 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.1 mt -125.07 130.78 52.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.019 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -136.19 117.54 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.261 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -131.93 137.95 48.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -134.7 145.17 48.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.683 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.1 133.14 12.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.353 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.407 ' HA ' ' HA2' ' A' ' 29' ' ' GLY . 44.5 mt-10 -109.66 23.69 14.08 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.913 0.863 . . . . 0.0 109.286 178.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -98.97 18.93 16.04 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.485 -176.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.4 m -88.71 9.53 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.053 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 173.57 -171.67 44.66 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.6 t -78.79 -30.31 45.46 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.107 0.479 . . . . 0.0 109.766 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -153.65 82.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.971 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -168.49 139.63 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' A' ' 22' ' ' GLU . . . -121.27 146.22 17.26 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.574 -178.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.19 137.62 32.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.829 0.347 . . . . 0.0 110.852 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.7 tt -138.29 140.15 40.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.514 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.3 pt -115.66 144.58 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.399 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.13 131.37 5.8 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.8 tp -133.24 131.99 40.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.703 0.287 . . . . 0.0 110.773 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.8 ttm -131.66 126.33 34.37 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.951 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 39.8 t -115.24 138.62 44.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.137 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.26 131.36 5.52 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.83 138.79 9.67 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.653 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 11' ' ' GLU . 68.8 t -126.01 124.14 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.83 112.47 40.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.25 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.5 mt -109.69 125.45 66.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.555 -178.935 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.718 0.294 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.73 42.86 0.72 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -82.97 82.56 8.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.912 -171.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 66.22 87.67 0.12 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.18 177.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -64.99 132.83 50.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.218 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -123.92 61.14 1.1 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.52 84.09 0.84 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.24 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 28.8 p -107.33 -26.03 11.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.161 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.82 47.94 0.58 Allowed Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.301 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -95.69 -48.82 5.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.865 0.364 . . . . 0.0 110.437 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -88.58 69.53 8.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.342 0.592 . . . . 0.0 110.662 -176.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 27.5 m -78.48 -23.06 13.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.763 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -90.5 83.13 5.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -74.85 -47.37 30.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.054 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 51.27 54.21 11.54 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.311 0.577 . . . . 0.0 111.123 177.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -110.7 6.7 21.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.917 -177.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.0 tp -67.36 -39.3 85.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.02 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 17.1 m -65.36 -29.26 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.135 177.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -73.15 -28.22 62.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.14 0.495 . . . . 0.0 110.185 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -81.37 -12.61 58.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.089 178.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.14 14.9 22.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.34 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -134.15 94.8 3.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.151 0.5 . . . . 0.0 110.523 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -76.82 82.24 3.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.648 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 35.7 m -78.37 -23.79 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.004 0.43 . . . . 0.0 110.384 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.13 -161.2 13.51 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.978 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.7 m -75.8 118.2 18.35 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.817 0.342 . . . . 0.0 110.718 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -77.9 60.17 2.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.178 0.513 . . . . 0.0 110.778 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -131.2 131.28 43.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.59 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 171.09 150.37 7.0 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.189 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.61 127.12 55.65 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 69.2 mt -120.83 117.22 52.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.787 0.327 . . . . 0.0 110.5 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.53 126.05 74.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.65 130.53 5.4 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.402 HD11 ' O ' ' B' ' 34' ' ' LEU . 4.0 pp -126.04 145.74 50.19 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.114 0.483 . . . . 0.0 111.034 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 65.5 mtm -126.54 121.37 32.1 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.357 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.82 126.14 73.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.0 143.75 14.49 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.217 -177.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.82 140.38 10.69 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.958 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 52.7 t -127.42 130.47 70.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 178.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -125.38 125.88 69.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.195 0.521 . . . . 0.0 110.548 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mt -112.3 109.6 29.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.945 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.838 -177.339 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.46 34.35 22.58 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.593 0.558 . . . . 0.0 110.973 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -105.04 -24.93 12.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.618 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -67.51 -49.53 62.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.867 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -85.84 71.61 10.63 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -88.61 -16.66 31.9 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.575 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -84.35 151.63 24.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.175 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' SER . . . . . 0.442 ' HB3' ' CE2' ' C' ' 10' ' ' TYR . 49.0 m -148.41 -76.01 0.17 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.996 -176.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.04 56.16 3.56 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.568 178.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.442 ' CE2' ' HB3' ' C' ' 8' ' ' SER . 37.2 p90 -149.32 157.74 43.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.852 0.358 . . . . 0.0 110.776 176.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' C' ' 39' ' ' VAL . 42.6 mt-10 -118.32 136.3 53.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.563 176.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 p -118.0 118.53 58.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.354 0.597 . . . . 0.0 110.066 175.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -116.68 151.73 35.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.444 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -138.81 146.97 41.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.364 . . . . 0.0 111.076 -178.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -139.27 134.14 32.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.54 177.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -131.61 128.12 38.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.893 0.378 . . . . 0.0 111.173 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 95.1 mt -125.05 131.08 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.972 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -136.55 117.52 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.171 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -132.0 138.11 48.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.07 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -134.87 144.82 47.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.98 0.419 . . . . 0.0 110.848 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.6 133.06 12.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.363 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . 0.415 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . 44.3 mt-10 -109.5 23.64 14.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.864 0.84 . . . . 0.0 109.415 177.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -99.23 19.42 15.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.347 -176.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 35.6 m -89.17 9.7 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.041 -177.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 173.56 -171.64 44.64 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 18.1 t -78.88 -30.81 45.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.192 0.52 . . . . 0.0 109.601 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -152.8 83.19 1.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.058 177.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -168.76 139.38 2.44 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' C' ' 22' ' ' GLU . . . -121.1 146.01 17.3 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.678 -178.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.99 137.61 33.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.604 -0.35 . . . . 0.0 110.732 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 8.8 tt -138.34 140.19 40.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.42 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 32.3 pt -115.67 144.69 22.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.427 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.04 131.65 5.93 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.61 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 57.5 tp -133.33 131.98 40.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.809 0.338 . . . . 0.0 110.756 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 47.2 ttm -131.79 126.27 33.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.085 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 39.9 t -115.16 138.55 45.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.216 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.06 131.37 5.55 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.07 138.58 9.47 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.625 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' C' ' 11' ' ' GLU . 67.3 t -125.79 124.41 66.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.908 0.385 . . . . 0.0 110.136 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 79.7 t -111.1 112.48 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.222 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 25.7 mt -109.64 125.82 66.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.667 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.898 -178.793 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.708 0.289 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.36 43.12 0.76 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -82.97 82.49 8.2 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.961 -171.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 66.2 87.87 0.11 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.858 0.724 . . . . 0.0 111.09 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -65.3 132.57 49.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.184 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -123.65 61.38 1.07 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.264 0.554 . . . . 0.0 109.598 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.39 84.07 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.232 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 31.4 p -107.37 -26.03 11.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.239 -177.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.98 48.15 0.57 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.212 -177.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -95.9 -48.82 5.57 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.876 0.369 . . . . 0.0 110.503 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -88.58 69.45 8.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.382 0.61 . . . . 0.0 110.583 -177.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 27.6 m -78.05 -24.01 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -89.81 83.42 6.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -74.95 -47.68 28.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.115 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 51.87 53.82 11.95 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.609 0.568 . . . . 0.0 111.153 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -110.71 6.77 21.85 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.886 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 50.2 tp -67.26 -39.5 86.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.045 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 m -65.67 -28.83 45.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.093 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -73.38 -28.21 61.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.175 0.512 . . . . 0.0 110.178 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -81.52 -12.56 58.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.107 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.16 14.9 22.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.278 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -134.12 94.75 3.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.164 0.507 . . . . 0.0 110.505 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -77.01 82.73 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.614 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 35.9 m -78.59 -23.91 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.922 0.391 . . . . 0.0 110.511 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.07 -161.64 13.38 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.941 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 20.1 m -75.87 118.56 18.79 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.859 0.362 . . . . 0.0 110.548 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -78.14 60.41 2.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.21 0.529 . . . . 0.0 110.641 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -131.29 131.47 43.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.519 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.96 150.15 6.86 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.258 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.72 127.11 55.68 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -120.74 117.28 52.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.447 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.54 125.96 74.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.56 130.39 5.37 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.403 ' O ' HD11 ' D' ' 34' ' ' LEU . 4.0 pp -126.13 145.67 50.26 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.138 0.494 . . . . 0.0 110.915 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 67.4 mtm -126.48 121.37 32.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.332 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -115.81 126.31 73.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.16 143.88 14.6 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.289 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.07 140.33 10.58 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.9 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 56.6 t -127.56 130.55 70.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 p -125.4 125.77 69.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.317 0.579 . . . . 0.0 110.589 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 49.6 mt -111.84 109.87 30.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.024 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.342 -0.837 . . . . 0.0 109.962 -177.501 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.798 0.333 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.82 -57.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.444 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 58.9 57.93 3.41 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.583 0.552 . . . . 0.0 110.7 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.426 ' CE2' ' HB2' ' A' ' 7' ' ' ASP . 43.2 t80 -72.55 126.86 30.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -128.72 -76.32 0.56 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.203 178.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -131.47 37.55 3.68 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.426 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 3.9 m-20 -62.2 125.24 23.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.055 -177.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.8 m -105.25 168.69 8.91 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.147 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.56 -102.2 0.18 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.342 -0.932 . . . . 0.0 113.082 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -159.82 150.32 18.92 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -174.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 34.7 mt-10 -142.71 150.12 39.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.957 0.408 . . . . 0.0 110.806 177.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -112.0 113.95 45.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.336 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -116.18 135.02 54.29 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -161.15 136.17 7.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.079 0.466 . . . . 0.0 110.632 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -125.83 145.01 50.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.836 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -146.79 132.8 19.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.974 0.416 . . . . 0.0 110.85 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.8 tp -143.74 120.77 11.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.317 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -117.32 127.84 74.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -136.4 139.54 42.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.077 0.465 . . . . 0.0 110.677 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -110.85 131.05 55.38 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.533 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.59 129.16 52.67 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.043 0.449 . . . . 0.0 110.704 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -97.1 -13.78 21.97 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.225 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -118.62 123.53 45.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.493 -177.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 p -163.21 -29.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.659 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -139.91 -144.95 4.6 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.959 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.3 m -82.67 -47.91 11.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.192 0.52 . . . . 0.0 109.662 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -146.76 69.05 1.17 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -135.95 140.58 44.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.846 -176.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.64 136.96 13.93 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 173.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.31 129.42 55.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.345 0.593 . . . . 0.0 111.773 -175.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 mm -113.61 122.61 68.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.344 -0.844 . . . . 0.0 108.935 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.1 tt -129.45 130.54 67.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.414 0.626 . . . . 0.0 111.514 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.45 129.27 5.63 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.392 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.6 mt -120.72 127.17 51.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.787 0.327 . . . . 0.0 110.222 -178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.0 mtm -135.53 133.5 38.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.747 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.04 131.72 67.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.975 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.39 135.58 8.66 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.509 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.13 137.94 8.74 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.018 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.9 t -105.65 117.53 51.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.413 ' HB ' ' HB2' ' A' ' 11' ' ' GLU . 50.4 t -107.5 105.6 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.985 -176.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.4 mt -106.43 104.36 16.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.232 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.433 -177.445 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.19 20.05 11.11 Favored 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.785 0.678 . . . . 0.0 111.668 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -89.39 2.59 54.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.107 0.48 . . . . 0.0 110.45 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -121.55 120.63 35.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.952 175.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -103.16 133.49 48.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.202 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -116.59 89.48 3.12 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -75.61 81.02 2.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.176 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.2 m -59.17 108.91 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.854 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.98 -156.48 6.79 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 121.092 -0.575 . . . . 0.0 111.729 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 59.88 38.7 21.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.229 0.537 . . . . 0.0 110.657 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -78.14 79.89 4.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.7 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.9 m -67.54 105.36 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.656 176.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -82.68 58.56 4.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.542 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -125.83 107.36 10.43 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.071 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -74.92 -21.17 59.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.549 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -66.21 -20.78 66.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.711 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.43 -33.41 75.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.626 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 45.1 t -66.5 -34.82 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.253 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -84.41 -14.1 50.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.297 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -80.15 -55.62 4.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.966 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 52.73 80.44 0.1 Allowed 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.778 0.674 . . . . 0.0 111.524 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.71 114.05 6.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.458 0.646 . . . . 0.0 111.618 -175.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -90.23 131.24 36.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.724 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 22.9 t -121.51 -33.61 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.134 0.492 . . . . 0.0 110.256 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.75 -62.82 0.48 Allowed Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.508 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.2 m -104.49 61.88 0.72 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.214 0.531 . . . . 0.0 109.735 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -77.2 -51.44 10.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.563 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -151.38 21.67 0.73 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.499 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.29 155.82 11.95 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.487 -0.863 . . . . 0.0 113.498 174.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -161.89 127.26 3.5 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 122.797 0.439 . . . . 0.0 110.012 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 62.9 mt -125.44 113.37 34.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.711 0.291 . . . . 0.0 110.407 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 pp -116.26 154.26 17.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.616 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.87 130.85 3.75 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.96 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 48.5 tp -118.54 125.17 49.27 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.915 0.388 . . . . 0.0 110.1 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.2 mtm -112.09 121.32 44.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.948 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.2 t -127.04 126.61 68.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.812 0.339 . . . . 0.0 110.227 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.56 135.51 7.64 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.51 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.63 139.42 11.12 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.428 -0.892 . . . . 0.0 112.181 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 40.0 t -128.0 130.44 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.935 0.398 . . . . 0.0 110.228 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 98.7 t -119.93 115.95 48.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.716 176.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 63.4 mt -112.34 109.18 27.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.929 0.395 . . . . 0.0 110.458 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.687 178.656 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 120.759 0.314 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.76 -58.02 0.19 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.543 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 59.03 58.0 3.32 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.641 0.588 . . . . 0.0 110.641 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' C' ' 7' ' ' ASP . 43.4 t80 -72.67 127.12 31.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.352 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -128.92 -75.87 0.56 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.371 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -131.68 36.71 3.71 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . 0.422 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . 3.8 m-20 -61.46 125.79 25.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.034 -177.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 13.0 m -105.76 169.14 8.65 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.953 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.14 -102.37 0.18 Allowed Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.358 -0.925 . . . . 0.0 113.017 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -159.62 150.49 19.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -174.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.41 ' HB2' ' HB ' ' C' ' 40' ' ' VAL . 35.2 mt-10 -142.47 149.86 39.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.903 0.383 . . . . 0.0 111.029 177.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -111.58 114.19 46.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.321 175.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -116.44 134.63 54.64 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -160.75 136.36 8.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.126 0.489 . . . . 0.0 110.74 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -125.77 145.39 50.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.811 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -147.32 132.42 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.975 0.417 . . . . 0.0 110.85 -177.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 60.7 tp -143.72 120.7 11.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.387 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.9 t -117.01 127.84 74.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -136.41 139.64 42.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.033 0.444 . . . . 0.0 110.73 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -110.88 130.99 55.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.526 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.61 128.88 52.41 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.095 0.474 . . . . 0.0 110.668 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -96.72 -14.42 22.03 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.178 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -117.99 123.61 46.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.579 -177.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 p -163.44 -30.07 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.576 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -139.36 -144.51 4.57 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.947 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 21.5 m -82.82 -48.47 10.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.15 0.5 . . . . 0.0 109.699 175.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -146.25 68.75 1.19 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.212 175.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -135.86 140.65 44.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.992 -176.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.44 137.18 14.06 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 173.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.47 129.3 55.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.414 0.626 . . . . 0.0 111.643 -175.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 14.9 mm -113.66 122.76 68.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.786 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 tt -129.82 130.61 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.465 0.65 . . . . 0.0 111.528 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.8 128.93 5.47 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.395 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 75.7 mt -120.44 127.22 52.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.765 0.317 . . . . 0.0 110.237 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 71.4 mtm -135.47 133.55 38.64 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.594 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 59.6 t -129.14 131.74 67.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.938 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.41 135.71 8.72 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.657 -0.783 . . . . 0.0 111.272 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.42 138.0 8.71 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.193 -1.003 . . . . 0.0 113.008 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 83.3 t -105.75 117.79 52.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.41 ' HB ' ' HB2' ' C' ' 11' ' ' GLU . 50.6 t -107.57 105.66 19.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -176.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 65.9 mt -106.5 104.31 16.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 174.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.803 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.406 -177.522 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 34.9 t70 . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.64 19.2 10.81 Favored 'General case' 0 N--CA 1.462 0.155 0 O-C-N 123.703 0.627 . . . . 0.0 111.677 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -88.77 2.99 52.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.103 0.477 . . . . 0.0 110.596 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -122.0 120.59 34.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.812 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -103.23 133.5 48.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.962 0.411 . . . . 0.0 110.298 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -116.82 89.24 3.07 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -75.21 81.43 2.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.221 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m -59.7 108.69 0.77 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.883 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.13 -156.86 6.93 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.879 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 60.32 38.12 19.87 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.224 0.535 . . . . 0.0 110.613 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -77.29 80.57 3.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.602 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 6.7 m -68.02 105.57 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.585 176.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -82.76 59.15 4.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.54 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -126.54 107.15 9.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.069 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -74.86 -20.98 59.52 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.637 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -66.02 -21.2 66.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.756 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 96.6 mt -67.15 -33.45 75.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.684 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.4 -35.07 74.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.298 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -84.21 -14.06 51.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.444 179.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -80.05 -55.77 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.915 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . 53.09 81.11 0.09 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.926 0.766 . . . . 0.0 111.414 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -69.38 113.75 6.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.48 0.657 . . . . 0.0 111.598 -175.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -89.7 131.36 35.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.719 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 t -121.72 -33.62 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.388 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.59 -63.48 0.47 Allowed Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.453 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 19.8 m -103.78 61.59 0.75 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.132 0.491 . . . . 0.0 109.932 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -76.98 -51.21 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.591 -177.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -151.26 20.94 0.75 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.511 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.36 156.88 11.74 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.398 -0.906 . . . . 0.0 113.376 174.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.74 127.22 3.09 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 122.6 0.36 . . . . 0.0 110.085 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 63.2 mt -125.45 113.61 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.805 0.336 . . . . 0.0 110.329 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 pp -116.4 154.56 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.638 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.11 131.55 3.99 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.871 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 48.7 tp -119.32 125.15 48.37 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.924 0.392 . . . . 0.0 110.057 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.1 mtm -112.06 121.35 44.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.023 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 46.1 t -126.87 126.66 68.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.227 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.62 135.67 7.73 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.474 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.55 139.53 11.21 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.16 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 40.5 t -128.36 130.47 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 99.1 t -120.0 115.93 48.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.724 176.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 63.2 mt -112.11 109.18 27.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.962 0.411 . . . . 0.0 110.475 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.93 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.766 178.572 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 120.889 0.376 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.6 94.26 9.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.028 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -101.78 -26.31 13.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.305 0.574 . . . . 0.0 109.914 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -119.77 135.25 54.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.983 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -109.04 131.2 55.29 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -106.54 75.68 1.08 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.119 0.485 . . . . 0.0 110.608 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -123.09 176.4 6.08 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.336 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.9 m 58.9 39.28 23.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.142 0.496 . . . . 0.0 111.065 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.15 -176.88 50.78 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.264 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -139.22 152.35 47.27 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.807 0.337 . . . . 0.0 110.775 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -117.68 129.86 55.99 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.54 123.98 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.587 0.708 . . . . 0.0 111.567 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -113.34 135.34 53.96 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.051 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -149.22 138.48 21.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.04 0.448 . . . . 0.0 111.279 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -137.82 145.4 42.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.6 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -121.24 153.29 37.82 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 175.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.2 tp -147.67 128.02 13.95 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 m -134.78 134.52 53.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.315 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.425 ' HB3' ' HB ' ' A' ' 32' ' ' ILE . 55.6 t80 -136.73 131.33 33.33 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.904 0.383 . . . . 0.0 110.021 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -126.13 126.56 44.36 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.801 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.57 129.89 11.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.881 0.372 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' HA ' ' HA2' ' A' ' 29' ' ' GLY . 4.5 mp0 -94.27 -1.4 54.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.352 178.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -99.71 15.15 27.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.225 -177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.6 t -82.91 -51.05 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.16 159.79 13.87 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.499 -0.857 . . . . 0.0 111.763 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 p -63.3 100.02 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.813 0.339 . . . . 0.0 110.478 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 59.81 33.96 21.78 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.768 -175.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -138.15 142.42 40.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.519 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' ' 22' ' ' GLU . . . -107.42 144.46 15.99 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.336 -178.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.71 130.74 56.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.019 0.438 . . . . 0.0 111.06 -178.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' B' ' 39' ' ' VAL . 4.0 mp -107.79 113.92 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.524 176.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.425 ' HB ' ' HB3' ' A' ' 19' ' ' PHE . 3.6 mp -106.37 124.26 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.29 -179.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.46 128.08 5.08 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.631 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.8 tp -135.48 146.02 47.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.765 0.317 . . . . 0.0 110.615 -178.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.0 ttm -142.36 132.2 24.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.081 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 66.7 t -126.45 136.04 61.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.414 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.6 133.94 6.38 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.877 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.88 139.94 10.81 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.819 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.6 t -129.14 126.64 64.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.683 0.278 . . . . 0.0 110.516 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.419 HG21 HG12 ' B' ' 31' ' ' ILE . 2.6 p -108.41 113.09 43.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.278 0.561 . . . . 0.0 110.073 176.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.6 mt -98.88 125.23 52.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.089 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.112 -0.947 . . . . 0.0 111.407 179.577 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.7 25.53 4.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.664 0.269 . . . . 0.0 111.523 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -127.5 -38.02 1.96 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.49 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -83.47 104.36 13.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.894 0.378 . . . . 0.0 110.774 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -133.88 -20.0 2.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.975 0.416 . . . . 0.0 111.048 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -88.28 0.41 56.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.859 0.362 . . . . 0.0 110.465 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -88.12 7.16 32.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.264 0.554 . . . . 0.0 110.145 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.9 p -73.88 -19.49 60.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.28 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.46 -131.08 4.85 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.163 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 61.55 36.04 17.11 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.453 0.644 . . . . 0.0 110.759 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -85.75 81.88 8.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.161 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -74.09 86.86 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.827 0.822 . . . . 0.0 109.853 175.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -72.07 100.08 2.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.452 -176.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -71.71 140.32 49.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.228 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -114.19 169.65 8.87 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.349 0.595 . . . . 0.0 111.703 -172.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -126.63 -178.07 4.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.66 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.4 mt -57.16 -43.84 82.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.697 0.284 . . . . 0.0 111.604 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 36.0 t -66.93 -31.98 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.953 0.406 . . . . 0.0 110.841 -178.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -79.72 -19.88 47.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.71 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -84.27 -24.0 30.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.277 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.42 104.34 3.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.086 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -91.52 83.85 5.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.509 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.62 94.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.231 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 13.5 p -98.31 -19.74 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.123 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.71 -179.04 33.73 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.683 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 21.1 t -140.18 147.57 40.31 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -123.71 142.07 51.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.373 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm 63.65 32.02 14.13 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.883 0.739 . . . . 0.0 110.892 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.3 157.65 27.06 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.175 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.94 129.08 8.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.697 0.284 . . . . 0.0 110.864 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.419 HG12 HG21 ' A' ' 40' ' ' VAL . 66.0 mt -113.11 116.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 pp -115.04 148.83 17.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.775 0.321 . . . . 0.0 110.919 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.64 129.8 4.65 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -124.24 134.49 53.24 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.685 0.279 . . . . 0.0 110.449 -177.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -133.11 121.53 22.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.374 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -138.71 132.34 40.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.954 0.407 . . . . 0.0 110.502 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.86 166.79 34.6 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.279 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.69 160.32 30.2 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.887 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 6.6 p -142.48 133.97 25.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.894 0.378 . . . . 0.0 110.326 178.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -121.34 127.6 75.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.352 176.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 55.4 mt -114.71 110.04 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.562 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.681 178.218 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.721 0.296 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.98 93.58 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.977 0.418 . . . . 0.0 111.212 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -101.32 -26.38 13.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.261 0.553 . . . . 0.0 109.846 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -119.76 135.46 54.84 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.033 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -109.34 130.63 55.49 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -105.92 75.86 1.14 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.09 0.472 . . . . 0.0 110.696 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -123.23 176.58 6.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.421 176.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 31.9 m 58.79 39.31 24.28 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.088 0.471 . . . . 0.0 111.009 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.34 -177.55 50.65 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.267 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -138.71 152.49 48.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.799 0.333 . . . . 0.0 110.715 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -117.68 129.84 55.98 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 178.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -108.45 123.99 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.604 0.716 . . . . 0.0 111.732 -177.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -113.33 135.3 54.0 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.097 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -149.03 138.76 21.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.03 0.443 . . . . 0.0 111.215 -177.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -137.86 145.41 42.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.51 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -121.01 153.3 37.53 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 51.0 tp -147.71 128.17 14.04 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 m -134.98 134.13 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.424 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.419 ' HB3' ' HB ' ' C' ' 32' ' ' ILE . 54.9 t80 -136.5 130.85 33.13 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.804 0.335 . . . . 0.0 110.132 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -125.47 126.71 45.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.82 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.64 129.72 11.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.895 0.379 . . . . 0.0 111.242 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . 0.482 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . 4.5 mp0 -93.83 -1.68 54.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.368 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -99.55 15.09 27.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.218 -177.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 89.3 t -82.98 -50.97 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.34 159.65 13.92 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.682 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p -63.07 100.12 0.2 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.778 0.323 . . . . 0.0 110.605 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 59.38 34.74 22.89 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.642 0.734 . . . . 0.0 109.671 -175.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -138.83 142.42 38.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.591 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . 0.482 ' HA2' ' HA ' ' C' ' 22' ' ' GLU . . . -107.46 144.58 16.01 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.184 -177.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.73 130.92 57.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.951 0.405 . . . . 0.0 111.221 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' D' ' 39' ' ' VAL . 4.0 mp -107.74 114.13 45.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.477 176.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.419 ' HB ' ' HB3' ' C' ' 19' ' ' PHE . 3.6 mp -106.67 124.28 62.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.253 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.74 127.94 4.98 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.563 176.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 48.9 tp -135.43 145.87 47.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.676 0.274 . . . . 0.0 110.526 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 51.1 ttm -142.16 132.19 24.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.979 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 65.0 t -126.38 136.26 61.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.372 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.96 134.02 6.35 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.797 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.8 140.49 11.29 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.849 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 60.8 t -129.37 126.54 63.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.732 0.301 . . . . 0.0 110.469 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.427 HG21 HG12 ' D' ' 31' ' ' ILE . 2.6 p -108.24 113.25 43.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.222 0.534 . . . . 0.0 110.113 176.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 57.4 mt -99.09 125.55 52.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.097 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 117.984 -1.007 . . . . 0.0 111.188 179.621 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 13.8 t70 . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.92 25.94 4.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -127.85 -37.98 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.37 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -83.51 104.35 13.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.8 0.333 . . . . 0.0 110.66 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -133.64 -20.21 2.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.975 0.416 . . . . 0.0 111.075 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -88.3 0.13 56.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.971 0.415 . . . . 0.0 110.367 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.63 7.02 31.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.237 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 3.9 p -73.8 -19.55 60.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.266 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.64 -131.01 4.79 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.098 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 61.49 35.91 17.33 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.427 0.632 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -86.0 82.15 8.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.996 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 p -74.39 87.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.827 0.822 . . . . 0.0 109.819 174.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -72.32 99.93 2.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.524 -176.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -71.43 140.58 50.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.206 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -114.48 169.46 9.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.226 0.536 . . . . 0.0 111.585 -172.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -126.29 -177.86 4.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.582 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.22 -44.46 83.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.716 0.293 . . . . 0.0 111.458 -178.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 33.3 t -66.53 -31.67 54.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.38 . . . . 0.0 110.973 -178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -79.96 -19.64 47.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.782 0.325 . . . . 0.0 110.725 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -84.29 -24.17 30.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.19 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.39 104.36 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.065 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -91.5 84.34 5.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.418 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -64.2 94.23 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.15 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 p -97.44 -19.58 5.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.21 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.73 -179.24 33.6 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.642 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 21.6 t -140.29 146.86 39.1 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -122.99 142.51 50.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.503 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 63.57 31.66 14.55 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.67 0.606 . . . . 0.0 111.066 178.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.37 158.1 27.37 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.203 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.21 129.1 7.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.671 0.272 . . . . 0.0 110.849 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.427 HG12 HG21 ' C' ' 40' ' ' VAL . 66.2 mt -113.12 116.68 53.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 pp -114.92 149.15 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.06 129.84 4.6 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 174.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -124.23 134.62 53.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.612 0.244 . . . . 0.0 110.539 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 25.7 ttt -133.13 121.6 22.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.43 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -139.01 132.22 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.05 0.452 . . . . 0.0 110.427 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.81 166.86 34.59 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.263 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.94 160.42 30.36 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 121.047 -0.596 . . . . 0.0 111.808 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 6.7 p -142.63 133.74 24.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 120.945 0.402 . . . . 0.0 110.335 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 20.4 m -120.97 127.63 75.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.305 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 55.1 mt -114.69 110.07 30.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.61 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.889 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.512 178.362 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.923 0.392 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.48 141.65 25.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.249 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -154.71 154.14 32.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.85 0.357 . . . . 0.0 110.467 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -147.86 140.61 24.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.099 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -134.21 -4.99 2.68 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.515 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -88.73 53.18 2.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.134 0.493 . . . . 0.0 110.981 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -98.77 -54.12 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.835 176.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.6 t -154.27 149.07 26.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.524 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.89 -79.15 0.11 Allowed Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 111.545 -0.622 . . . . 0.0 111.545 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -158.7 152.05 22.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 176.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -123.09 133.46 54.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.339 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m -106.2 143.83 16.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.686 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -144.91 135.95 24.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.269 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -159.54 138.51 10.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.045 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -142.31 154.17 44.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.124 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -141.55 149.39 40.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.916 0.389 . . . . 0.0 110.689 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -134.07 130.55 37.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.727 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.47 117.25 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.841 0.353 . . . . 0.0 110.24 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.03 121.01 36.01 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -135.22 137.45 42.63 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.181 0.515 . . . . 0.0 111.526 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.52 153.58 41.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.86 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -115.08 -19.57 10.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.104 0.478 . . . . 0.0 110.995 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -97.85 44.79 1.03 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.866 -177.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 t -86.21 75.78 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.429 0.633 . . . . 0.0 110.618 -177.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.37 -135.23 12.47 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.207 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.3 t -77.42 -51.33 10.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.78 0.324 . . . . 0.0 110.43 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -166.77 87.67 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.532 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -172.38 140.69 1.13 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.963 172.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.89 162.21 21.13 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.551 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.67 138.46 25.91 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.754 0.312 . . . . 0.0 110.507 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.0 tt -130.07 124.16 57.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.339 0.59 . . . . 0.0 110.516 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.402 HD11 ' N ' ' A' ' 32' ' ' ILE . 4.1 mp -112.01 121.44 64.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.684 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.11 129.1 7.47 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.853 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.1 tp -134.75 129.99 35.5 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttm -142.26 136.22 29.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.689 0.28 . . . . 0.0 110.492 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.14 140.1 43.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.467 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.15 140.85 8.65 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.79 161.49 30.29 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.721 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -129.72 130.35 66.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.791 0.329 . . . . 0.0 110.401 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -106.28 112.81 41.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.665 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.5 mt -103.91 112.7 38.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.765 -176.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.466 ' HB1' ' H ' ' B' ' 29' ' ' GLY . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.444 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.452 ' H3 ' ' CD ' ' B' ' 3' ' ' GLU . 1.2 m-20 . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.959 0.409 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.52 36.05 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 177.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.452 ' CD ' ' H3 ' ' B' ' 1' ' ' ASP . 4.3 mp0 -90.59 16.31 9.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.376 -175.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -70.48 -19.04 62.98 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.685 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -73.02 74.86 1.2 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.409 0.623 . . . . 0.0 111.745 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -148.63 30.16 0.83 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.004 0.43 . . . . 0.0 110.771 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -122.78 168.04 12.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.278 -178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 36.5 m -147.4 149.62 33.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.791 0.329 . . . . 0.0 110.23 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.79 -40.74 2.37 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.818 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -82.37 61.85 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.249 0.547 . . . . 0.0 109.941 176.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -145.48 145.92 31.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.37 -175.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 t -123.98 90.99 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.033 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -108.54 -58.69 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.024 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -122.14 -27.05 4.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.239 177.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -92.11 124.97 36.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.304 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -151.08 -24.92 0.21 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.045 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 90.2 mt -74.75 -23.05 58.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.465 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.92 -40.02 87.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.289 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -69.56 -29.83 67.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.222 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -80.65 -29.65 36.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.764 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.99 66.48 7.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.323 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -79.07 124.72 28.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 35.1 t70 57.68 73.62 0.46 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.421 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 28.2 m -118.63 157.83 20.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.559 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -143.5 168.73 26.17 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.055 -177.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t -102.41 -17.5 15.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.958 0.409 . . . . 0.0 110.629 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -86.6 67.12 9.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.209 0.528 . . . . 0.0 110.673 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -133.35 89.26 2.58 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.569 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.466 ' H ' ' HB1' ' A' ' 42' ' ' ALA . . . 100.8 50.9 1.22 Allowed Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.463 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.98 134.26 55.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.683 0.278 . . . . 0.0 110.713 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 70.2 mt -133.28 125.49 51.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.431 . . . . 0.0 110.998 -176.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.07 136.69 60.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.771 175.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.5 130.29 3.89 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.062 177.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 60.9 tp -123.4 127.22 48.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.756 0.312 . . . . 0.0 110.485 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 27.9 ttt -125.53 121.79 34.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.244 -178.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.43 133.26 69.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.933 0.397 . . . . 0.0 110.852 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.68 142.07 11.97 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.98 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.28 143.91 12.73 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.137 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.19 131.37 72.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.977 0.418 . . . . 0.0 110.344 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.94 117.83 51.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.933 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 55.7 mt -116.77 125.02 73.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.964 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' D' ' 30' ' ' ALA . . . . . . . . 0 C--O 1.248 1.001 0 O-C-N 124.209 0.943 . . . . 0.0 111.111 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.99 0.424 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.46 141.63 25.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.263 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -154.82 153.82 31.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.813 0.34 . . . . 0.0 110.418 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -147.67 140.36 24.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.179 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -133.75 -5.02 2.84 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.636 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -88.78 53.05 2.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.117 0.485 . . . . 0.0 111.0 -177.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -98.52 -54.14 3.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.887 176.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 14.8 t -154.41 149.65 27.04 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.538 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.44 -79.43 0.11 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -158.43 151.91 23.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.78 0.324 . . . . 0.0 110.146 177.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -122.87 133.47 54.42 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.303 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 m -106.36 143.62 16.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -144.96 135.27 24.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.297 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -158.32 140.03 13.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.738 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -143.23 154.44 43.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.102 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -141.43 149.33 40.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.878 0.371 . . . . 0.0 110.783 177.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.2 mt -133.85 130.96 38.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.759 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.93 117.11 43.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -122.02 120.66 35.02 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -134.84 137.7 43.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.189 0.519 . . . . 0.0 111.471 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.73 153.61 41.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.756 178.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -115.37 -19.33 10.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.093 0.473 . . . . 0.0 110.99 -176.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -98.08 45.17 1.02 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.718 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -86.37 74.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.363 0.601 . . . . 0.0 110.681 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.89 -135.62 12.75 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.962 177.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -77.0 -51.68 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.789 0.328 . . . . 0.0 110.3 -178.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -166.34 87.46 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.698 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -172.44 140.65 1.1 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.867 173.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.08 162.26 20.97 Favored Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.631 177.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.69 138.12 25.66 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.778 0.323 . . . . 0.0 110.669 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 11.9 tt -129.69 124.17 58.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.323 0.582 . . . . 0.0 110.447 177.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.404 ' N ' HD11 ' C' ' 32' ' ' ILE . 4.1 mp -111.99 121.5 64.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.734 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.0 129.48 7.64 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.686 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 57.1 tp -135.05 129.9 34.78 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 51.2 ttm -142.33 136.15 29.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.764 0.316 . . . . 0.0 110.533 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.12 140.12 43.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.478 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.23 140.66 8.5 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.511 -0.635 . . . . 0.0 111.511 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.77 161.3 30.18 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.671 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -129.42 130.46 67.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.872 0.368 . . . . 0.0 110.348 -178.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 60.5 t -106.44 112.77 40.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.713 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 68.0 mt -103.84 112.9 39.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.853 -176.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . 0.459 ' HB1' ' H ' ' D' ' 29' ' ' GLY . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.342 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . 0.453 ' H3 ' ' CD ' ' D' ' 3' ' ' GLU . 1.2 m-20 . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 121.129 0.49 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.16 35.15 1.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.733 0.778 . . . . 0.0 109.006 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.453 ' CD ' ' H3 ' ' D' ' 1' ' ' ASP . 4.0 mp0 -89.73 16.3 8.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.363 -175.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -70.32 -18.31 63.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.859 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -74.07 74.21 1.72 Allowed 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.331 0.586 . . . . 0.0 111.713 -178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -148.02 31.2 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.039 0.447 . . . . 0.0 110.78 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -123.48 167.85 13.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.179 -178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 34.1 m -147.42 149.87 33.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.781 0.324 . . . . 0.0 110.184 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.75 -41.49 2.16 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.678 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -81.78 62.38 5.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.272 0.558 . . . . 0.0 109.896 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -145.9 145.92 30.89 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.323 -175.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 t -124.08 91.05 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.013 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -108.98 -57.49 2.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.881 0.372 . . . . 0.0 110.235 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -123.23 -26.84 4.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.263 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -92.27 125.13 36.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.131 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -150.97 -25.39 0.21 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.924 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 89.7 mt -74.8 -22.42 58.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.475 -178.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 47.6 t -65.32 -40.16 87.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.246 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -69.3 -29.97 67.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.383 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -80.4 -29.85 37.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.709 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.89 66.6 7.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.227 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -79.22 124.58 28.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 t70 58.18 73.33 0.48 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.31 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 28.4 m -118.49 157.92 19.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.497 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -143.54 168.07 26.39 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.02 -177.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 8.1 t -101.29 -19.12 15.78 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.829 0.347 . . . . 0.0 110.583 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -85.43 67.31 10.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.248 0.547 . . . . 0.0 110.726 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -133.49 89.61 2.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.481 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.459 ' H ' ' HB1' ' C' ' 42' ' ' ALA . . . 100.74 50.56 1.27 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.389 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.484 ' HA ' ' HB3' ' B' ' 42' ' ' ALA . . . -118.73 134.07 55.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.702 0.287 . . . . 0.0 110.789 -178.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 70.4 mt -133.15 125.35 51.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.948 0.404 . . . . 0.0 110.983 -176.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.79 137.03 58.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.59 130.32 3.89 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.015 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 60.4 tp -123.66 127.13 47.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.787 0.327 . . . . 0.0 110.473 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 28.0 ttt -125.56 121.86 34.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.232 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -125.52 133.4 69.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.116 0.484 . . . . 0.0 110.81 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.71 142.22 12.1 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.986 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.24 143.91 12.74 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.108 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -124.09 131.63 72.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.036 0.446 . . . . 0.0 110.383 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.93 118.06 52.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.824 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 56.4 mt -116.83 125.09 73.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.932 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.946 0 O-C-N 124.21 0.943 . . . . 0.0 111.121 -178.416 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.644 0.259 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.97 79.62 7.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.997 0.427 . . . . 0.0 110.891 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -105.84 114.77 29.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.894 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 59.25 37.68 23.6 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.295 0.569 . . . . 0.0 110.272 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -71.39 115.02 10.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.852 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -83.68 72.3 10.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.821 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -91.0 171.76 9.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.166 -177.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.1 p -151.41 138.52 19.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.713 0.292 . . . . 0.0 110.416 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.96 -60.76 0.13 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.21 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -146.68 152.87 39.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.909 0.385 . . . . 0.0 111.298 -176.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -112.24 129.76 56.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.213 172.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.94 134.8 54.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.857 0.36 . . . . 0.0 110.575 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -140.55 135.29 31.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -120.82 136.59 54.87 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -134.93 134.05 40.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.724 0.297 . . . . 0.0 110.335 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -122.8 133.77 54.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.317 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.64 121.97 31.85 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.835 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 m -125.43 137.63 57.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.088 0.47 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -135.68 138.94 43.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.457 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -132.76 133.57 43.61 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.327 0.584 . . . . 0.0 111.12 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.34 128.86 54.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.681 176.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -92.16 -11.43 35.59 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.4 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -135.23 127.66 30.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.616 175.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 t -126.78 45.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 173.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.7 -64.95 0.56 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.235 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.0 m -154.85 -57.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.639 0.257 . . . . 0.0 111.295 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -129.87 30.94 4.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.583 0.23 . . . . 0.0 111.44 -176.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -121.75 149.13 43.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.781 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -126.86 154.82 19.45 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' B' ' 40' ' ' VAL . . . -141.81 130.75 23.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.426 0.613 . . . . 0.0 111.625 -176.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -122.09 128.67 75.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.6 tt -130.88 136.53 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.986 0.422 . . . . 0.0 110.499 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.79 142.43 10.62 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.737 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -140.05 140.7 36.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.006 0.431 . . . . 0.0 110.584 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 70.5 mtm -126.86 129.73 48.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.689 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -121.86 131.79 72.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.427 -178.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.76 130.58 9.02 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.35 145.52 17.35 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.625 -177.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.3 t -129.44 121.14 52.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.7 t -104.49 106.27 20.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.953 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.2 mt -100.59 140.93 18.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.467 -0.778 . . . . 0.0 110.743 179.793 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 121.067 0.46 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.82 135.53 54.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.307 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -91.16 -30.26 16.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.891 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -100.82 138.59 37.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.291 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -119.9 28.85 7.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.161 0.505 . . . . 0.0 110.03 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -85.92 -52.07 5.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.524 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -103.45 170.32 8.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.521 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 35.6 p -148.66 125.14 10.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.448 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.11 118.55 0.42 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.57 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -80.94 39.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.937 0.398 . . . . 0.0 110.748 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.13 51.75 2.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.237 0.542 . . . . 0.0 110.755 -176.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.7 m -129.95 162.02 38.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.027 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -118.55 41.33 3.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.789 0.328 . . . . 0.0 110.358 -178.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 59.55 -156.59 0.34 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.945 -177.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -85.83 -50.89 6.78 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 171.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -131.18 101.97 5.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.836 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 53.4 tp -70.63 -28.54 64.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.004 0.43 . . . . 0.0 109.892 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.5 -25.07 35.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.91 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -71.15 -28.91 64.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.46 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -88.87 -11.55 44.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.129 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.16 83.97 6.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.715 -175.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.07 -33.44 67.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.294 0.569 . . . . 0.0 110.222 173.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -145.57 -73.39 0.24 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.13 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 13.5 p -170.02 -36.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.144 173.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 175.54 -172.36 45.39 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.893 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 47.5 m 66.29 -174.96 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 122.887 0.475 . . . . 0.0 111.529 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 60.47 45.36 10.89 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.431 -177.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -126.25 129.65 49.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.448 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.64 78.0 0.59 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.154 -175.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.26 139.42 52.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -127.09 120.5 55.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.549 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -115.92 149.11 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.308 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.73 130.55 3.25 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.125 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -115.67 134.55 54.93 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 59.1 mtm -119.97 123.26 43.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.773 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -122.36 125.93 73.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.3 162.23 28.4 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.902 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.93 153.51 24.8 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.17 -0.538 . . . . 0.0 111.766 177.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -142.03 132.06 24.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.979 0.419 . . . . 0.0 110.604 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 16.8 m -124.34 123.53 66.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.8 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 58.2 mt -114.83 109.47 28.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.057 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.769 -179.187 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.757 0.313 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.62 79.62 8.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.007 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -105.95 114.59 28.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.851 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 59.48 37.42 22.95 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.322 0.582 . . . . 0.0 110.194 -177.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -70.99 115.32 9.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.005 -177.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -84.02 72.16 10.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.702 178.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -90.53 172.29 8.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.045 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 19.4 p -152.47 138.33 18.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.78 0.324 . . . . 0.0 110.428 -177.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.26 -60.35 0.12 Allowed Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.293 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -147.01 152.5 38.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.143 0.497 . . . . 0.0 111.404 -176.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -112.08 129.61 56.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.28 172.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.72 135.18 52.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.886 0.374 . . . . 0.0 110.582 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -141.1 135.49 31.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.759 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -120.9 136.43 54.94 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -134.68 134.08 40.72 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -123.01 133.85 54.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.983 0.42 . . . . 0.0 110.405 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.61 121.97 31.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.726 178.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 20.5 m -125.37 137.39 57.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.982 0.42 . . . . 0.0 110.98 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -135.33 139.17 44.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -132.88 133.63 43.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.269 0.556 . . . . 0.0 111.12 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.43 129.02 54.56 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.665 176.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -92.34 -11.46 34.99 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.443 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -135.18 128.01 31.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.43 175.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 t -127.11 45.46 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 173.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.22 -65.88 0.55 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.102 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 21.0 m -154.43 -57.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.643 0.259 . . . . 0.0 111.259 178.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -129.83 30.68 4.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.528 0.204 . . . . 0.0 111.382 -176.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -121.57 149.17 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.588 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -126.77 155.23 19.57 Favored Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' D' ' 40' ' ' VAL . . . -142.35 130.76 22.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.346 0.573 . . . . 0.0 111.602 -177.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.98 128.75 75.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.524 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.7 tt -130.92 136.71 57.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.037 0.446 . . . . 0.0 110.574 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.03 141.95 10.12 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.665 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -139.76 140.74 36.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.025 0.441 . . . . 0.0 110.581 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 70.0 mtm -126.62 129.93 49.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.772 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.3 t -121.93 131.7 72.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.493 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.75 130.47 8.96 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.38 145.66 17.48 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.625 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 88.5 t -129.51 120.92 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.842 0.353 . . . . 0.0 110.08 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -104.25 106.09 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.978 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 24.8 mt -100.34 141.38 17.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.726 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 121.195 0.522 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.73 134.98 53.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.312 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -90.7 -30.17 17.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.061 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -100.87 138.34 38.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.298 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -119.51 28.36 8.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.136 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -85.46 -52.3 5.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.519 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -103.35 170.27 8.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.542 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 41.0 p -148.44 125.5 11.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.521 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.67 119.23 0.4 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.542 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -81.7 39.87 0.57 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.909 0.385 . . . . 0.0 110.755 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -85.02 51.74 2.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.709 -176.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 30.3 m -129.53 162.54 36.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.121 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -119.0 41.07 3.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.684 0.278 . . . . 0.0 110.439 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 59.42 -157.13 0.33 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.947 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -85.37 -51.13 6.77 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 171.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -130.98 102.02 5.87 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.929 175.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 53.2 tp -70.53 -28.9 65.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.015 0.436 . . . . 0.0 109.84 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -61.49 -24.89 35.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.026 177.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -71.01 -29.09 64.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.424 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -88.74 -11.76 44.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.06 84.03 6.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.669 -175.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.12 -33.26 67.16 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.241 173.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -145.76 -73.72 0.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.058 176.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 p -169.58 -36.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.13 173.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.82 -173.34 46.11 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.818 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 46.3 m 67.27 -175.54 0.2 Allowed 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.888 0.475 . . . . 0.0 111.744 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 60.84 44.68 10.57 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.419 -177.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -125.18 129.39 50.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.515 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.35 77.99 0.62 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.134 -175.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.36 139.37 52.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.71 0.291 . . . . 0.0 110.852 -176.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 66.5 mt -127.05 120.08 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.495 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -115.72 149.35 17.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.66 130.8 3.33 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.033 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 96.8 mt -115.93 134.73 54.67 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 59.3 mtm -120.19 123.21 42.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -174.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.42 125.94 73.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.41 162.12 28.41 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.952 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.01 153.17 24.54 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 p -142.01 132.09 24.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.017 0.437 . . . . 0.0 110.504 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' C' ' 30' ' ' ALA . 16.8 m -124.25 123.53 66.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.683 178.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 58.9 mt -114.9 109.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.066 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.729 -179.001 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 110.712 -0.107 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.0 75.03 0.41 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.247 0.546 . . . . 0.0 111.2 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -67.44 -30.73 70.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.881 176.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -83.38 76.38 9.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.164 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -136.94 144.11 43.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.386 177.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -152.61 137.53 17.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.663 0.268 . . . . 0.0 110.663 -176.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.17 112.64 7.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.63 177.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -68.46 107.9 3.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.064 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.78 -58.15 1.54 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.688 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -142.79 152.34 42.15 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.16 134.05 55.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.829 0.347 . . . . 0.0 111.16 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.6 p -122.79 133.13 69.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.562 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -139.56 153.0 47.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.073 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -141.84 145.55 34.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.807 0.337 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -126.43 135.45 51.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.909 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -127.65 129.92 48.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.834 0.35 . . . . 0.0 110.789 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.4 mt -130.49 131.32 45.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.288 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.3 m -128.36 131.14 69.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.144 0.497 . . . . 0.0 110.68 178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -134.96 129.33 34.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.507 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -101.46 111.43 23.66 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.677 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.17 127.68 46.39 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.935 0.397 . . . . 0.0 110.083 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -117.33 -25.58 7.0 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.293 0.568 . . . . 0.0 109.67 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -84.03 42.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.739 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -104.08 -0.39 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.994 0.426 . . . . 0.0 110.986 -178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.63 -174.54 46.98 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.835 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.5 m -72.62 -50.39 25.55 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.71 0.29 . . . . 0.0 110.738 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -138.96 61.92 1.55 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.814 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -162.28 152.25 16.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.265 177.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.49 159.92 23.3 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.954 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' B' ' 40' ' ' VAL . . . -133.92 130.03 37.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.969 0.414 . . . . 0.0 110.864 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.439 HD11 ' N ' ' A' ' 31' ' ' ILE . 3.9 mp -103.39 123.1 56.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.9 mt -115.33 115.96 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.918 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.8 127.59 7.19 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.319 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.5 mt -131.21 130.29 42.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.659 0.266 . . . . 0.0 110.603 -177.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 66.7 mtt -134.86 133.36 39.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.513 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 64.2 t -130.33 131.86 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.386 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.87 130.72 8.91 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.35 138.93 11.01 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.956 -177.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.0 t -132.59 131.87 59.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.792 0.33 . . . . 0.0 110.747 -177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.6 t -93.9 105.98 17.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 173.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mt -99.48 112.53 32.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -175.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.417 178.542 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 121.097 0.475 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.14 39.28 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.659 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -63.65 -49.42 73.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.725 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -90.92 34.81 0.9 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.494 0.664 . . . . 0.0 110.022 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.548 ' HB3' ' OD1' ' B' ' 7' ' ' ASP . 25.7 mtp180 -138.09 -64.58 0.53 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.033 -178.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 56.31 39.74 30.07 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.723 0.773 . . . . 0.0 110.075 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . 0.548 ' OD1' ' HB3' ' B' ' 5' ' ' ARG . 9.4 p-10 -90.78 53.46 2.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.908 177.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 12.8 m -68.32 -19.77 64.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.763 -174.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.1 7.64 4.76 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.352 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -94.12 90.93 6.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.998 0.428 . . . . 0.0 110.968 -176.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 55.82 52.41 10.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.291 174.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 t -81.73 -49.94 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.568 176.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 54.63 72.41 0.47 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.886 175.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -137.05 150.85 48.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 176.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -63.21 131.8 49.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.854 -177.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -122.6 103.15 8.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.564 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 tp -67.6 -25.89 65.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.279 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 28.6 m -66.32 -24.03 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.903 177.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -84.18 -28.49 27.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.491 0.662 . . . . 0.0 109.662 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -80.71 -46.06 16.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.748 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.53 38.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.672 -175.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -91.73 -66.47 0.92 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 58.32 79.83 0.2 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.372 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.31 -26.99 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.19 0.519 . . . . 0.0 110.39 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.48 153.62 8.1 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.78 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 24.0 m 60.23 27.28 16.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.369 0.604 . . . . 0.0 110.708 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -102.55 8.73 39.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.064 -175.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -92.27 95.51 9.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.33 178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -149.72 172.71 29.63 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.674 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.22 130.78 41.82 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 54.5 mt -103.53 113.8 41.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.827 0.346 . . . . 0.0 110.368 -178.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -108.45 154.13 9.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.512 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.48 129.78 3.57 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.958 177.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.3 tp -107.47 125.41 51.22 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 63.1 mtt -113.06 122.12 46.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.392 -176.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.9 m -130.96 140.81 47.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.952 0.406 . . . . 0.0 110.276 177.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.94 162.01 31.44 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.082 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.85 139.55 8.05 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.583 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 27.5 m -130.84 134.86 61.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.027 0.441 . . . . 0.0 110.413 179.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 4.0 p -126.23 126.39 69.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.411 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mt -107.71 109.27 27.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.012 -179.722 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.39 75.14 0.4 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.271 0.558 . . . . 0.0 111.218 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.67 -30.47 70.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.814 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -83.44 76.21 9.94 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.143 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -136.83 144.03 43.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.477 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -152.59 137.28 16.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.532 0.206 . . . . 0.0 110.737 -175.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -71.02 112.55 7.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.639 177.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m -68.52 108.89 3.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.754 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.96 -57.71 1.47 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.604 177.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -142.66 152.14 42.12 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -117.97 134.34 55.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.853 0.359 . . . . 0.0 111.194 -176.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 p -122.89 132.77 70.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.614 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -139.2 152.74 47.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.938 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -141.66 145.44 34.95 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.718 0.294 . . . . 0.0 110.773 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -126.48 135.64 51.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.969 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -127.83 129.92 47.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.137 0.494 . . . . 0.0 110.9 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -130.51 131.53 45.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.134 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 15.4 m -128.61 131.29 68.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.965 0.412 . . . . 0.0 110.538 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -135.06 129.32 33.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.66 -177.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -101.66 111.1 23.24 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.83 127.61 45.98 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.841 0.353 . . . . 0.0 110.173 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -117.4 -25.48 6.99 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.32 0.581 . . . . 0.0 109.702 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.29 42.38 0.88 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.725 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 27.5 m -104.05 -0.65 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.981 0.42 . . . . 0.0 110.995 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.85 -174.45 46.85 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.797 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.2 m -72.49 -50.52 25.4 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.888 0.375 . . . . 0.0 110.716 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -138.94 62.2 1.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.795 -177.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -162.34 152.39 16.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.256 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.4 160.11 23.33 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.792 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.97 130.06 37.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.027 0.442 . . . . 0.0 110.949 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.436 ' N ' HD11 ' C' ' 31' ' ' ILE . 3.9 mp -103.53 123.18 56.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 64.2 mt -115.37 115.72 50.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.55 127.41 7.15 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.441 -0.663 . . . . 0.0 111.441 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 78.6 mt -131.08 130.52 43.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.644 0.259 . . . . 0.0 110.691 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 66.0 mtt -135.03 133.13 39.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.762 0.315 . . . . 0.0 110.501 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 64.6 t -130.1 131.81 65.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.456 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.11 130.46 8.74 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.516 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.06 138.87 11.04 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.996 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 48.1 t -132.79 131.93 59.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.862 0.363 . . . . 0.0 110.621 -177.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.98 106.19 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 173.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 47.7 mt -99.54 112.76 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.748 -175.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.44 -0.79 . . . . 0.0 110.392 178.39 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 121.106 0.479 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.5 40.05 1.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.554 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -64.81 -49.21 71.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.491 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -90.79 34.75 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.402 0.62 . . . . 0.0 110.126 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . 0.544 ' HB3' ' OD1' ' D' ' 7' ' ' ASP . 25.9 mtp180 -138.31 -63.79 0.54 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.243 -178.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 55.77 39.76 30.76 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.719 0.771 . . . . 0.0 110.259 -178.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . 0.544 ' OD1' ' HB3' ' D' ' 5' ' ' ARG . 9.4 p-10 -90.82 53.63 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.874 177.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 13.5 m -68.43 -20.65 64.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.633 -174.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.68 7.19 5.23 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.462 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -93.92 91.11 6.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.949 0.404 . . . . 0.0 110.788 -176.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 55.76 52.9 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.171 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 25.2 t -82.3 -49.83 16.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 54.65 72.35 0.47 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.965 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -137.0 150.62 48.23 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -63.11 131.79 49.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.747 -177.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -122.46 102.5 8.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.745 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 47.1 tp -67.18 -25.64 66.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.324 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 28.1 m -66.38 -24.44 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -83.71 -28.82 28.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.288 0.566 . . . . 0.0 109.637 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -80.37 -46.0 16.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.807 -178.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.61 39.17 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.623 -175.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -92.06 -66.22 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 t70 58.24 80.17 0.19 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.353 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.16 -26.39 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.141 0.496 . . . . 0.0 110.439 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.16 153.31 8.06 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.641 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 25.3 m 60.69 27.17 16.91 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.351 0.596 . . . . 0.0 110.748 -179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -102.47 8.87 39.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.127 -175.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -92.51 95.46 9.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.198 0.523 . . . . 0.0 110.353 178.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -149.49 172.58 29.47 Favored Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.579 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.23 130.74 41.86 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 56.2 mt -103.51 113.93 41.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.773 0.321 . . . . 0.0 110.381 -178.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -108.48 154.44 9.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.496 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.66 129.85 3.58 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.067 177.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 57.4 tp -107.53 125.5 51.37 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 63.4 mtt -113.09 121.8 45.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.427 -176.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 24.9 m -130.85 140.83 47.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.035 0.445 . . . . 0.0 110.231 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.74 162.55 31.7 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.095 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.17 139.77 8.13 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.601 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 27.7 m -131.01 134.84 61.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.981 0.419 . . . . 0.0 110.352 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -126.26 126.29 69.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.455 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 48.3 mt -107.67 109.22 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.055 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.329 -0.844 . . . . 0.0 110.081 -179.715 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.3 p90 . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -134.3 130.02 36.42 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.1 p -98.31 138.84 21.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.051 0.453 . . . . 0.0 110.602 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -127.58 135.64 50.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -147.96 136.03 21.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.857 0.36 . . . . 0.0 110.233 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -147.86 133.13 18.44 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -138.02 140.01 39.9 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 17' ' ' LEU . 1.9 pt? -152.36 149.74 28.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.234 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -125.31 141.72 44.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.456 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -126.78 129.59 48.63 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -125.71 130.16 50.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.239 0.542 . . . . 0.0 110.982 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.425 179.748 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.834 0 N-CA-C 112.206 -0.358 . . . . 0.0 112.206 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.76 131.87 36.08 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.767 0.317 . . . . 0.0 110.52 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 tt -131.58 139.06 51.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.362 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 tt -131.53 133.33 61.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.479 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.408 ' O ' ' HA2' ' B' ' 37' ' ' GLY . . . -118.08 132.5 9.86 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.2 tp -123.97 128.54 49.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.822 0.344 . . . . 0.0 110.655 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.1 mtm -130.92 120.93 24.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.821 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -123.12 131.7 72.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.905 0.384 . . . . 0.0 110.571 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.99 131.13 5.72 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 177.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.93 154.28 25.52 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.845 -176.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -133.66 127.2 52.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.491 HG23 HG12 ' B' ' 31' ' ' ILE . 4.1 p -116.14 125.55 73.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.985 0.421 . . . . 0.0 110.629 177.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 C--N 1.323 -0.544 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.069 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.645 0.26 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.491 HG12 HG23 ' A' ' 40' ' ' VAL . 78.0 mt -127.41 125.11 65.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.406 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.452 HD13 ' N ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -134.86 130.45 52.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.662 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.452 ' N ' HD13 ' B' ' 32' ' ' ILE . . . -138.63 130.63 5.0 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.959 178.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.7 tp -112.43 126.23 55.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.813 0.34 . . . . 0.0 110.319 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 59.2 mtt -115.03 121.11 42.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.94 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.5 t -123.92 126.56 72.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.125 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 33' ' ' GLY . . . -140.95 136.41 7.54 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.91 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.57 139.86 11.84 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.027 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -118.42 130.8 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.036 0.446 . . . . 0.0 110.566 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 73.2 t -125.78 114.44 39.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.877 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 55.1 mt -116.64 109.49 28.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.674 -178.001 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 24.4 p90 . . . . . 0 N--CA 1.448 -0.535 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -133.77 130.19 37.68 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 p -98.52 138.96 21.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.963 0.411 . . . . 0.0 110.48 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -127.46 136.23 51.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -148.7 135.82 20.11 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.818 0.342 . . . . 0.0 110.213 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -147.95 133.01 18.22 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -137.51 140.56 41.2 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -152.63 149.94 28.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.225 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -125.69 141.3 45.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.082 0.467 . . . . 0.0 110.52 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -126.5 129.4 48.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.818 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 21.8 p90 . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 121.027 0.442 . . . . 0.0 110.886 -178.989 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.795 0 N-CA-C 112.24 -0.344 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.88 131.61 35.47 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.655 0.264 . . . . 0.0 110.49 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 tt -131.3 139.14 51.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 120.911 0.386 . . . . 0.0 110.313 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 tt -131.7 133.29 61.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.454 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.417 ' O ' ' HA2' ' D' ' 37' ' ' GLY . . . -118.06 132.43 9.83 Favored Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 176.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 61.4 tp -123.83 128.39 49.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.847 0.356 . . . . 0.0 110.732 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 53.6 mtm -131.02 120.92 24.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.74 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -122.92 132.0 72.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.783 0.325 . . . . 0.0 110.517 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.48 130.91 5.57 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.75 154.24 25.45 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.874 -176.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 45.2 t -133.69 126.98 52.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.497 HG23 HG12 ' D' ' 31' ' ' ILE . 4.2 p -115.83 125.65 73.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.988 0.423 . . . . 0.0 110.747 177.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.959 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.61 0.243 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 77.8 mt -127.51 125.25 65.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.275 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.446 HD13 ' N ' ' D' ' 33' ' ' GLY . 0.0 OUTLIER -134.98 130.49 52.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.552 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.446 ' N ' HD13 ' D' ' 32' ' ' ILE . . . -138.36 130.53 5.0 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.075 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 57.2 tp -112.38 126.37 55.21 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.757 0.313 . . . . 0.0 110.247 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 58.7 mtt -114.93 121.03 41.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.057 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.9 126.82 73.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.094 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' C' ' 33' ' ' GLY . . . -141.48 136.28 7.34 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.967 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.17 140.01 12.03 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.025 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.53 130.86 72.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.037 0.446 . . . . 0.0 110.664 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 69.5 t -125.76 114.32 38.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.958 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.475 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 55.4 mt -116.55 109.34 27.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.682 -0.675 . . . . 0.0 109.622 -177.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.5 p90 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.75 0.309 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -131.33 144.35 51.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.402 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -126.89 130.79 71.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.075 0.464 . . . . 0.0 110.808 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -142.49 146.17 34.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.758 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -140.72 161.92 36.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.864 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -152.77 143.55 22.86 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -139.26 137.46 35.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.019 0.437 . . . . 0.0 110.79 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -134.77 134.3 40.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.0 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.2 m -125.39 135.68 63.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.07 0.462 . . . . 0.0 110.538 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.405 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 64.0 m-85 -131.76 135.3 46.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.973 -178.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -134.71 129.97 35.55 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.724 0.297 . . . . 0.0 110.299 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.484 177.02 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 CA-C-O 120.816 0.12 . . . . 0.0 113.2 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.33 140.21 33.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.77 0.319 . . . . 0.0 110.786 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.06 133.84 68.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.431 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.405 ' HB ' ' HB2' ' A' ' 19' ' ' PHE . 55.0 mt -124.86 138.84 52.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.325 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.28 128.42 4.34 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.789 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.6 tp -120.94 123.15 41.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.752 0.31 . . . . 0.0 110.319 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.5 mmt -119.82 123.77 44.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.956 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.492 HG13 ' HG2' ' B' ' 35' ' ' MET . 63.9 t -121.11 137.19 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.928 -178.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.26 134.29 6.44 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.13 142.57 12.65 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.917 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.7 t -128.68 128.75 68.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.472 HG13 HG12 ' B' ' 31' ' ' ILE . 58.7 t -114.0 122.61 68.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.182 179.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.7 pt . . . . . 0 C--N 1.323 -0.587 0 CA-C-O 120.712 0.292 . . . . 0.0 110.493 178.062 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 121.038 0.447 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.472 HG12 HG13 ' A' ' 40' ' ' VAL . 75.1 mt -115.55 114.63 46.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.32 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.42 128.15 62.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 177.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.59 130.2 6.08 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.846 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 67.4 tp -121.16 127.09 51.2 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.492 ' HG2' HG13 ' A' ' 36' ' ' VAL . 60.0 mtt -124.3 120.72 33.0 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.817 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -120.88 128.11 76.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.082 0.467 . . . . 0.0 110.27 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.9 135.34 8.2 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.564 -0.826 . . . . 0.0 111.972 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.59 142.92 13.98 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.582 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 p -136.37 132.12 48.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.087 0.47 . . . . 0.0 110.808 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 49.7 t -118.21 113.65 42.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 55.7 mt -107.56 114.26 45.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.017 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.733 -0.651 . . . . 0.0 109.606 179.187 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 26.5 p90 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.909 0.385 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -131.12 144.27 51.27 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.443 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 17.6 m -126.63 131.4 71.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.003 0.43 . . . . 0.0 110.637 -177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -142.87 146.21 33.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.701 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -140.8 161.86 36.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.953 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -152.75 143.45 22.8 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -139.13 137.69 36.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.931 0.396 . . . . 0.0 110.81 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -135.15 133.7 39.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.001 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 m -124.57 136.33 60.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.094 0.473 . . . . 0.0 110.512 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -132.19 135.39 46.3 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.986 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 82.8 t80 . . . . . 0 C--N 1.321 -0.641 0 CA-C-O 120.782 0.325 . . . . 0.0 110.396 177.366 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 120.879 0.155 . . . . 0.0 113.161 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.97 140.45 34.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.696 0.284 . . . . 0.0 110.851 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.32 133.57 68.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.552 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.415 HG12 HG23 ' D' ' 39' ' ' VAL . 55.0 mt -124.63 138.92 52.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.402 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.38 128.1 4.21 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.713 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 59.8 tp -120.69 123.17 42.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.668 0.27 . . . . 0.0 110.422 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 23.6 mmt -120.04 123.3 43.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.031 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.491 HG13 ' HG2' ' D' ' 35' ' ' MET . 62.9 t -120.63 137.38 54.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.011 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.46 134.67 6.6 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.35 142.43 12.43 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.854 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.49 128.65 68.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.481 HG13 HG12 ' D' ' 31' ' ' ILE . 58.8 t -113.82 122.76 68.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.191 178.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 25.2 pt . . . . . 0 C--N 1.321 -0.655 0 CA-C-O 120.665 0.269 . . . . 0.0 110.545 178.018 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 121.103 0.477 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.481 HG12 HG13 ' C' ' 40' ' ' VAL . 76.4 mt -115.79 114.64 46.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.226 178.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.5 128.07 62.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 177.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.55 129.98 6.01 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.956 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 66.6 tp -120.92 126.75 50.8 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.834 0.349 . . . . 0.0 110.23 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.491 ' HG2' HG13 ' C' ' 36' ' ' VAL . 60.1 mtt -123.83 120.97 34.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.818 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 m -121.03 127.81 75.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.969 0.414 . . . . 0.0 110.278 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.76 135.44 8.27 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.938 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.02 143.36 14.33 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.495 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.415 HG23 HG12 ' C' ' 32' ' ' ILE . 6.8 p -136.7 132.1 47.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.145 0.497 . . . . 0.0 110.853 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 50.7 t -118.2 113.45 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt -107.61 114.47 46.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.977 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.701 -0.666 . . . . 0.0 109.519 179.473 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.5 p90 . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 120.693 0.282 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -110.17 138.88 45.94 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.437 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.1 t -112.98 113.78 45.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -114.38 137.18 52.14 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -152.19 144.23 23.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.879 0.371 . . . . 0.0 111.013 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -146.1 150.54 36.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.206 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -136.01 126.69 27.21 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -122.93 125.97 46.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.175 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.9 t -128.04 122.71 58.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -111.96 136.61 51.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.066 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.61 121.53 45.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.705 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.963 176.577 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.7 131.01 19.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.087 0.47 . . . . 0.0 111.325 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.7 tt -125.32 132.37 71.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.614 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 tt -134.37 127.11 50.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.988 0.423 . . . . 0.0 110.967 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.2 135.62 8.72 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 tp -135.29 125.99 27.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.761 0.315 . . . . 0.0 110.267 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.6 ttt -121.1 132.74 55.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.287 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -123.12 131.39 73.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.997 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.47 130.78 5.96 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.39 155.26 25.11 Favored Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.063 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.62 129.27 75.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -105.21 110.18 30.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.849 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.6 mt . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.087 -178.832 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 64.1 mt -117.56 112.88 40.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.849 0.357 . . . . 0.0 110.736 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -111.78 154.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.13 131.63 3.77 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.229 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 75.9 mt -107.57 126.17 52.21 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 61.1 mtm -113.23 121.57 44.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.483 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 57.8 t -132.71 126.87 55.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.097 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.29 167.96 29.02 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.769 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.45 142.23 9.16 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.189 -0.529 . . . . 0.0 111.995 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.64 131.19 73.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 82.6 t -125.43 113.82 36.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 176.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 65.0 mt -111.8 109.47 28.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.04 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.473 -0.775 . . . . 0.0 109.792 -177.529 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 45.4 p90 . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.696 0.284 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -110.41 138.64 46.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.454 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.55 113.75 45.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -114.16 137.66 51.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.941 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -153.0 143.61 22.71 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.671 0.272 . . . . 0.0 110.891 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -145.95 150.5 36.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.059 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -135.97 126.59 27.11 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -122.81 125.85 46.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.169 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -127.9 122.62 59.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -111.9 136.55 51.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.115 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.682 -179.047 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.66 131.2 19.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.075 0.464 . . . . 0.0 111.276 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 9.5 tt -125.69 132.05 71.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.661 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 tt -134.22 126.95 50.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.167 0.508 . . . . 0.0 111.037 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.25 135.71 8.75 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.619 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 58.9 tp -135.23 125.89 27.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.623 0.249 . . . . 0.0 110.345 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 26.7 ttt -121.01 132.96 55.22 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.289 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -123.39 131.34 73.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.04 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.41 130.61 5.92 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.23 155.25 25.03 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.977 -176.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.37 129.39 75.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.49 109.86 29.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.83 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 59.7 mt . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.099 -179.035 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 63.4 mt -117.53 112.67 39.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.945 0.402 . . . . 0.0 110.83 -175.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -111.62 155.02 13.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.28 131.46 3.69 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.243 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 76.6 mt -107.51 126.35 52.42 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.9 mtm -113.39 121.53 44.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.478 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.59 126.69 55.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.11 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.93 167.75 28.82 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.882 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.13 142.53 9.47 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.942 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 26.1 t -123.94 131.23 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 81.4 t -125.4 113.88 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.694 0.283 . . . . 0.0 110.278 176.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 64.6 mt -111.64 109.58 29.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.094 177.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.669 -177.572 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.433 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 44.1 p90 . . . . . 0 N--CA 1.451 -0.402 0 CA-C-O 121.097 0.475 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -138.93 144.94 39.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.715 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.8 m -107.25 134.46 48.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.308 0.575 . . . . 0.0 110.935 -176.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -130.31 145.78 51.82 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.454 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -154.93 148.61 25.42 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.97 0.414 . . . . 0.0 111.113 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -133.2 134.04 43.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.398 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -139.87 137.13 34.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.864 0.364 . . . . 0.0 110.957 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.7 mt -137.28 121.42 17.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.976 177.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -112.81 116.82 53.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -119.46 133.61 55.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.249 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -133.75 128.83 35.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.918 0.389 . . . . 0.0 110.237 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.34 -178.73 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.65 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.53 130.43 47.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.934 0.397 . . . . 0.0 111.166 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.1 tt -122.57 130.36 74.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.235 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.4 mt -122.53 121.61 64.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.502 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.87 128.18 7.78 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 176.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.9 tp -137.01 125.02 22.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.793 0.297 . . . . 0.0 110.476 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.6 ptp -143.98 141.18 30.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.721 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.08 136.36 33.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.506 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.58 135.65 10.64 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.817 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.74 141.33 12.67 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.509 -0.636 . . . . 0.0 111.509 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -129.01 131.72 67.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 117.049 0.424 . . . . 0.0 110.957 -176.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 59.9 t -91.96 110.8 23.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 174.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--N 1.324 -0.518 0 CA-C-O 120.689 0.28 . . . . 0.0 111.523 -174.104 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.872 0.368 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.518 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 38.0 mm -119.69 112.34 36.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.828 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -116.36 155.02 17.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.89 138.02 5.93 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.841 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.02 125.95 34.65 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 51.0 ttm -115.81 132.81 56.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.006 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.6 t -125.09 127.12 72.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.596 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.59 146.35 18.3 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.948 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.2 139.77 7.91 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.264 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -129.57 130.06 66.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 47.6 t -125.96 117.45 48.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.506 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 54.8 mt -116.64 123.11 71.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.959 177.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.778 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.942 -179.589 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' C' ' 40' ' ' VAL . 43.7 p90 . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 120.981 0.42 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -138.89 144.99 39.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.822 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 23.5 m -107.26 134.21 49.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.315 0.578 . . . . 0.0 111.009 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -130.03 146.71 51.72 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -155.7 148.52 24.23 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.802 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -133.5 134.06 42.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.529 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -139.69 136.92 34.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.807 0.337 . . . . 0.0 110.938 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 95.8 mt -137.16 121.18 17.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.018 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 60.7 t -112.66 117.02 54.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -119.6 133.62 55.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.239 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 p90 . . . . . 0 C--N 1.319 -0.72 0 CA-C-O 121.107 0.479 . . . . 0.0 110.313 178.031 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.0 130.65 48.67 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.921 0.391 . . . . 0.0 111.138 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 12.2 tt -122.73 130.15 74.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.121 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 73.5 mt -122.43 121.85 64.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.422 -177.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 127.96 7.63 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 61.9 tp -136.81 125.08 23.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.737 0.303 . . . . 0.0 110.439 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 23.5 ptp -143.92 141.15 30.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.753 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 7.7 p -141.22 136.46 33.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.377 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.76 135.8 10.66 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.795 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.95 141.47 12.81 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 47.7 t -129.09 131.66 67.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' C' ' 10' ' ' TYR . 60.3 t -91.94 110.93 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 174.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 60.6 mt . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 120.475 0.179 . . . . 0.0 111.376 -174.193 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.237 0 CA-C-O 120.699 0.285 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.506 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 38.3 mm -119.94 112.26 36.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.868 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -116.3 155.21 17.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.758 0.313 . . . . 0.0 111.05 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.13 138.01 5.89 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.112 -0.566 . . . . 0.0 111.842 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.15 126.12 34.83 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 50.6 ttm -115.95 132.94 56.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 46.9 t -125.31 126.88 71.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.672 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.39 146.46 18.37 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.725 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.37 139.46 7.66 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.208 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -129.34 130.18 67.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -125.9 117.43 48.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.518 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 54.7 mt -116.59 123.28 71.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.011 177.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.016 -179.338 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.7 p90 . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -135.07 134.62 40.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.98 -178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 p -94.88 136.89 24.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.279 0.561 . . . . 0.0 111.02 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -125.03 152.38 44.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.181 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -144.95 149.05 34.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.83 0.348 . . . . 0.0 110.732 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -143.09 132.08 22.94 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -132.17 138.95 48.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.901 0.382 . . . . 0.0 110.456 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.8 mt -134.31 128.16 33.21 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.67 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.8 m -122.11 132.0 71.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.968 0.413 . . . . 0.0 110.918 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.465 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 62.4 m-85 -123.55 131.07 53.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.854 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -124.0 111.34 15.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.132 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.866 -178.729 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.803 0 N-CA-C 112.342 -0.303 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.32 128.97 56.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.886 0.374 . . . . 0.0 110.134 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 59.8 mt -129.98 120.36 49.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.144 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.465 ' HB ' ' HB2' ' A' ' 19' ' ' PHE . 70.7 mt -117.8 123.31 71.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.197 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.18 127.23 6.56 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.643 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.4 mt -124.39 126.04 45.3 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtt -132.19 117.95 18.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.997 0.427 . . . . 0.0 110.827 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -116.36 131.77 67.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.475 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.81 130.8 7.56 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.29 164.53 26.22 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.369 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.6 t -138.66 127.27 29.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.751 0.31 . . . . 0.0 110.346 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 p -97.17 113.2 30.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.304 0.573 . . . . 0.0 109.822 174.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.0 mt . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.02 -178.389 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 66.7 mt -120.36 113.03 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -117.07 155.75 18.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.929 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.37 130.45 3.08 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.005 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 62.7 tp -107.11 127.38 53.44 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 63.2 mtt -111.16 122.05 46.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.54 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 64.5 t -127.38 126.25 67.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 175.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLY . . . . . 0.449 ' O ' HD12 ' D' ' 34' ' ' LEU . . . -141.34 154.33 24.54 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.092 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.65 139.46 9.71 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.858 -0.686 . . . . 0.0 111.833 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 60.1 t -123.65 129.57 74.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.49 113.74 34.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.696 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 59.5 mt -116.85 109.16 26.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.71 0.291 . . . . 0.0 110.239 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.785 178.621 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 22.0 p90 . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -135.45 135.07 40.24 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.875 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 12.1 p -95.49 136.83 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.293 0.568 . . . . 0.0 110.951 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -125.06 153.11 43.4 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.059 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -146.0 148.67 32.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.936 0.398 . . . . 0.0 110.7 177.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -142.84 132.12 23.37 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -132.11 138.66 48.18 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.76 0.314 . . . . 0.0 110.484 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -133.93 128.31 34.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.774 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 15.8 m -122.13 132.03 71.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.977 0.418 . . . . 0.0 110.955 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.477 ' HB2' ' HB ' ' C' ' 32' ' ' ILE . 61.5 m-85 -123.62 130.81 53.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.945 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.218 -179.376 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.824 0 N-CA-C 112.34 -0.304 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.39 128.83 56.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.927 0.394 . . . . 0.0 110.175 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 60.0 mt -130.01 120.3 49.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.168 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.477 ' HB ' ' HB2' ' C' ' 19' ' ' PHE . 70.0 mt -117.75 123.11 71.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.223 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.23 126.97 6.45 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.665 -0.778 . . . . 0.0 111.643 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 69.1 mt -124.14 126.57 46.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtt -133.04 117.49 17.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.014 0.435 . . . . 0.0 110.888 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 41.6 t -115.96 131.92 67.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.378 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.81 130.46 7.43 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 175.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.99 164.57 26.11 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.31 -0.947 . . . . 0.0 112.414 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 62.4 t -138.52 127.49 31.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.684 0.278 . . . . 0.0 110.307 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 p -97.28 112.99 30.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.291 0.567 . . . . 0.0 109.895 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 52.7 mt . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.109 -178.295 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.736 0.303 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 67.4 mt -120.68 112.76 37.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 176.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -116.89 155.82 18.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.988 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.06 130.64 3.16 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.11 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.449 HD12 ' O ' ' B' ' 37' ' ' GLY . 63.1 tp -107.21 127.58 53.65 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 63.3 mtt -111.16 122.24 47.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.485 -177.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 66.3 t -127.93 125.85 65.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.97 154.72 24.6 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.229 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.9 139.65 9.8 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.973 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 58.0 t -123.65 129.42 74.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 62.1 t -126.23 113.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.792 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 59.7 mt -116.65 109.14 26.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.703 0.287 . . . . 0.0 110.288 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.238 -0.886 . . . . 0.0 109.915 178.756 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.1 p90 . . . . . 0 N--CA 1.451 -0.384 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -105.62 149.02 26.69 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 m -116.59 133.88 61.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.222 0.534 . . . . 0.0 111.061 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -116.55 134.59 54.66 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.498 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 50.2 t60 -164.62 136.46 4.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -157.03 137.83 13.32 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.975 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -126.04 126.94 45.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -134.15 136.85 44.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.769 0.319 . . . . 0.0 111.174 -174.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.0 t -131.21 119.27 43.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.573 176.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -113.23 141.54 46.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.043 0.449 . . . . 0.0 110.9 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -94.69 127.67 40.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.583 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.904 -179.017 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.55 129.35 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.972 0.415 . . . . 0.0 110.559 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -124.11 123.9 67.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.893 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.447 HG22 HG13 ' B' ' 39' ' ' VAL . 32.8 pt -112.32 122.51 66.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.047 0.451 . . . . 0.0 110.453 177.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.41 129.11 7.02 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.869 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -133.95 139.56 46.19 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ptm -141.65 136.87 31.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.855 0.36 . . . . 0.0 110.703 176.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 14' ' ' HIS . 60.8 t -130.36 139.68 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.416 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.08 134.47 6.17 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.81 164.67 31.33 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.47 -0.871 . . . . 0.0 113.084 -177.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.36 130.47 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 122.615 0.366 . . . . 0.0 110.242 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.17 106.55 20.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.067 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 56.2 mt . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.526 -178.536 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 CA-C-O 121.056 0.455 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 65.8 mt -127.98 112.69 28.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.741 176.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.19 131.32 72.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.38 131.25 4.95 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.815 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.5 mt -115.38 143.93 44.55 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ptm -135.83 139.02 43.12 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.088 0.47 . . . . 0.0 110.889 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 11.9 p -149.15 147.16 16.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.899 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.77 176.7 41.18 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.273 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.83 147.0 16.3 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.159 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.447 HG13 HG22 ' A' ' 32' ' ' ILE . 58.3 t -122.86 129.85 74.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -125.54 115.77 44.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.132 0.492 . . . . 0.0 110.642 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 52.9 mt -117.68 123.0 71.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.477 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.322 -0.847 . . . . 0.0 109.907 176.855 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 53.3 p90 . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -105.41 149.15 26.38 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 m -116.51 134.08 61.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.186 0.517 . . . . 0.0 111.075 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -116.57 134.68 54.55 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' HIS . . . . . 0.486 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 50.1 t60 -164.57 136.49 4.53 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -157.01 137.84 13.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.036 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -126.1 126.68 44.58 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -133.77 137.2 45.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.774 0.321 . . . . 0.0 111.255 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 91.6 t -131.64 118.84 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.738 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -112.91 141.7 46.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.145 0.498 . . . . 0.0 110.901 -177.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 p90 . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.509 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.58 129.37 51.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 110.456 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -124.13 123.74 67.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.459 HG22 HG13 ' D' ' 39' ' ' VAL . 32.3 pt -112.4 122.52 66.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.023 0.44 . . . . 0.0 110.428 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.39 129.55 7.19 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.798 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.4 HD23 ' HA3' ' D' ' 37' ' ' GLY . 70.7 mt -134.28 139.64 45.87 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -177.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ptm -141.66 137.03 31.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.487 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' C' ' 14' ' ' HIS . 60.1 t -130.46 139.54 51.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.344 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.7 135.0 6.51 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 177.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.52 164.44 31.59 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.232 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 57.4 t -125.88 130.56 72.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 122.519 0.328 . . . . 0.0 110.299 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 58.9 t -110.05 106.51 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.178 179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 55.6 mt . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.527 -178.703 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.466 0 CA-C-O 121.023 0.439 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 65.9 mt -128.12 112.74 27.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.668 176.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.24 131.51 71.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.52 131.34 4.96 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.951 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -115.56 143.61 45.08 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ptm -135.58 139.15 43.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 11.9 p -149.19 146.92 16.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.944 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.4 ' HA3' HD23 ' C' ' 34' ' ' LEU . . . -165.69 177.04 41.06 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.377 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.08 146.95 16.16 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.207 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.459 HG13 HG22 ' C' ' 32' ' ' ILE . 58.5 t -122.91 129.88 74.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 m -125.66 115.64 43.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.073 0.463 . . . . 0.0 110.663 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 52.8 mt -117.73 123.19 71.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.497 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.973 176.861 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 p90 . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 120.782 0.325 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -145.19 136.83 25.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.511 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.44 HG12 HG22 ' A' ' 39' ' ' VAL . 18.2 m -98.06 152.32 4.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -135.0 147.53 49.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.627 0.251 . . . . 0.0 110.608 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -154.96 141.26 18.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.547 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -154.95 154.58 32.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.102 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -141.77 140.66 33.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.251 179.459 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.6 mt -134.29 135.42 42.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.029 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -124.88 125.24 69.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.868 0.366 . . . . 0.0 110.613 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.483 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 68.6 m-85 -115.04 142.38 46.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.67 177.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -134.74 133.31 39.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.317 -175.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.314 -177.66 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.672 0 N-CA-C 112.318 -0.313 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.3 129.47 56.27 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.826 0.346 . . . . 0.0 110.621 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.7 mt -115.36 117.99 57.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.849 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.483 ' HB ' ' HB2' ' A' ' 19' ' ' PHE . 50.7 mt -113.01 115.04 48.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.106 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.8 128.14 7.88 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.27 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -121.23 127.14 51.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.692 0.282 . . . . 0.0 110.283 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 85.1 mtp -123.8 120.95 34.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.404 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -119.28 134.01 64.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.767 0.318 . . . . 0.0 110.693 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.91 137.63 6.18 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.22 171.29 38.07 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.116 -1.04 . . . . 0.0 112.835 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.44 HG22 HG12 ' A' ' 12' ' ' VAL . 47.1 t -127.31 128.3 70.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -178.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t -112.39 109.45 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.328 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.445 HD12 ' HB3' ' B' ' 30' ' ' ALA . 41.3 mt . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.954 177.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.445 ' HB3' HD12 ' A' ' 41' ' ' ILE . . . . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 120.853 0.358 . . . . 0.0 110.744 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.549 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 48.3 mm -119.58 112.76 38.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.116 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.34 133.86 49.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.944 0.402 . . . . 0.0 110.386 -178.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.55 132.92 5.34 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.965 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -118.79 132.04 56.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.81 0.338 . . . . 0.0 110.285 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ttt -128.43 121.92 30.11 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 50.9 t -109.21 126.33 66.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.12 135.64 8.93 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.471 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.66 139.95 10.11 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.373 -0.918 . . . . 0.0 112.297 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 27.0 m -121.82 131.23 73.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.105 0.478 . . . . 0.0 110.699 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -124.72 113.6 36.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.642 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 70.6 mt -113.93 110.58 32.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.387 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.775 179.143 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 42.8 p90 . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.952 0.405 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -146.0 136.4 23.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.499 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.436 HG12 HG22 ' C' ' 39' ' ' VAL . 17.5 m -97.25 152.34 4.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.373 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -135.16 147.26 49.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.605 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -154.57 141.61 19.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.52 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -155.16 154.58 32.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.124 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' C' ' 16' ' ' LYS . 0.0 OUTLIER -141.76 140.37 33.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.483 179.456 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 91.1 mt -134.08 135.48 43.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.913 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -125.07 125.69 69.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.883 0.373 . . . . 0.0 110.422 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.478 ' HB2' ' HB ' ' C' ' 32' ' ' ILE . 68.9 m-85 -115.59 142.39 46.8 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 177.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 58.4 t80 . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.276 -175.757 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 112.197 -0.361 . . . . 0.0 112.197 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.19 129.59 56.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.897 0.379 . . . . 0.0 110.649 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 47.1 mt -115.42 117.68 56.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.901 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.478 ' HB ' ' HB2' ' C' ' 19' ' ' PHE . 51.1 mt -112.85 115.13 48.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.044 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.91 128.24 7.92 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.372 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -121.45 126.79 50.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.683 0.278 . . . . 0.0 110.37 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 85.9 mtp -123.54 121.04 34.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.423 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -119.38 134.05 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.734 0.302 . . . . 0.0 110.642 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.74 137.49 6.12 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.15 171.29 38.01 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.803 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.436 HG22 HG12 ' C' ' 12' ' ' VAL . 46.9 t -127.18 128.51 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 88.7 t -112.63 109.51 28.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.266 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.449 HD12 ' HB3' ' D' ' 30' ' ' ALA . 41.1 mt . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.027 177.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.449 ' HB3' HD12 ' C' ' 41' ' ' ILE . . . . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 120.767 0.318 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 mm -119.71 112.8 38.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.56 133.76 49.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.939 0.4 . . . . 0.0 110.376 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.52 133.16 5.46 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.754 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 89.5 mt -119.16 131.98 55.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.862 0.363 . . . . 0.0 110.175 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ttt -128.38 121.91 30.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 51.0 t -109.09 126.24 66.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.07 135.54 8.88 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.375 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.67 139.79 9.97 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.353 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -121.77 131.31 73.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.06 0.457 . . . . 0.0 110.596 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -124.8 113.54 36.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.768 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.549 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 70.3 mt -113.99 110.74 33.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.487 -0.768 . . . . 0.0 109.839 179.097 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.1 p90 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -113.42 145.23 41.48 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -124.8 113.89 38.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.16 0.505 . . . . 0.0 110.486 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -117.93 134.3 55.09 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -151.23 136.8 17.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.93 0.395 . . . . 0.0 110.851 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -138.63 172.99 12.06 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.71 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -146.75 157.72 43.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.909 0.385 . . . . 0.0 110.221 177.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.8 tp -139.57 132.4 29.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.863 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 p -134.22 124.74 46.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.014 0.435 . . . . 0.0 109.971 177.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -132.1 130.51 41.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.391 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -111.41 129.59 55.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.204 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 177.092 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.745 0 N-CA-C 111.685 -0.566 . . . . 0.0 111.685 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.47 129.27 56.09 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.003 0.43 . . . . 0.0 110.891 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.3 mt -112.93 115.44 49.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.176 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 32' ' ' ILE . 3.5 mp -102.85 115.07 44.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.36 135.42 10.93 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.105 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 tp -143.34 143.24 31.58 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ttt -145.25 122.88 11.79 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 175.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.1 t -124.51 136.36 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.922 0.392 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.51 133.9 6.82 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.41 138.41 10.48 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.456 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.8 t -113.76 122.26 67.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.4 t -109.01 109.5 28.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--N 1.324 -0.543 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.052 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.149 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.407 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 68.4 mt -124.77 120.98 60.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.8 0.334 . . . . 0.0 110.494 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.33 131.16 69.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.117 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.59 131.05 6.35 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.028 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.0 mt -107.57 135.73 48.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.817 0.341 . . . . 0.0 110.145 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 67.9 mtm -124.58 121.22 34.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.168 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -124.85 135.37 64.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.09 176.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.78 165.94 31.73 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.34 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.18 141.44 6.9 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.695 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.3 130.19 74.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -122.06 115.27 45.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.899 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.419 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 53.2 mt -108.6 108.98 26.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.006 178.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.913 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 46.9 p90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -113.49 145.28 41.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -124.57 113.52 36.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.964 0.411 . . . . 0.0 110.572 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -117.41 134.63 54.62 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -151.61 136.87 17.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.812 0.339 . . . . 0.0 110.803 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -138.67 173.46 11.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.706 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -147.16 157.66 43.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.823 0.344 . . . . 0.0 110.187 177.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 tp -139.58 132.64 29.55 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.817 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 p -134.58 124.41 44.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.236 0.541 . . . . 0.0 110.117 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -131.85 130.58 41.89 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.411 -177.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 90.3 t80 . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.064 177.37 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.726 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.56 129.25 56.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.001 0.429 . . . . 0.0 110.878 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 84.1 mt -113.01 115.51 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.215 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.414 ' N ' HD12 ' C' ' 32' ' ' ILE . 3.5 mp -102.78 114.96 43.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.3 135.4 10.94 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.068 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 tp -143.33 143.34 31.64 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ttt -145.32 122.81 11.7 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 175.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.62 136.12 61.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.822 0.344 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.54 133.5 6.59 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.38 138.7 10.87 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.464 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 44.9 t -114.2 122.33 68.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 61.7 t -109.04 109.49 28.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.994 -177.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' ILE . . . . . 0.403 HD12 ' N ' ' C' ' 41' ' ' ILE . 3.9 mp . . . . . 0 C--N 1.322 -0.595 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.148 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.419 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 68.4 mt -124.77 121.18 60.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.695 0.283 . . . . 0.0 110.453 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.63 130.96 69.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.009 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.37 131.06 6.4 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.192 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -107.52 135.78 48.4 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtm -124.57 121.22 34.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.204 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 28.5 m -124.89 135.32 64.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 176.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.02 165.81 31.81 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.361 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.98 141.29 6.82 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.694 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -120.4 129.99 74.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 59.2 t -121.85 115.52 46.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.94 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.407 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 53.9 mt -108.8 109.32 27.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.559 -0.734 . . . . 0.0 110.127 179.884 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.519 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 47.5 p90 . . . . . 0 N--CA 1.447 -0.588 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -133.19 129.22 37.49 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.061 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.8 m -103.73 122.5 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.311 0.577 . . . . 0.0 110.604 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -115.48 135.78 53.75 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.135 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -142.16 136.08 29.62 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.091 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -140.75 143.35 34.9 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.073 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -140.19 128.4 22.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.076 0.465 . . . . 0.0 110.721 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.8 mt -130.49 127.76 39.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.985 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.6 t -128.01 121.99 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.995 0.426 . . . . 0.0 110.274 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -124.37 139.61 53.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.99 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -127.87 140.04 52.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.932 0.396 . . . . 0.0 111.045 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.733 176.755 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.21 134.84 33.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.828 0.347 . . . . 0.0 110.447 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tt -125.15 130.67 73.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.206 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.4 pt -118.6 132.37 68.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.881 -177.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.61 127.56 6.04 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.399 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.5 mt -126.98 135.54 51.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.8 ttm -139.81 126.59 20.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.14 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.6 t -124.76 133.8 68.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.469 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.83 130.16 6.2 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.6 149.72 20.48 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.131 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.5 t -125.26 120.12 57.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.851 0.358 . . . . 0.0 110.246 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 61.4 t -94.6 106.33 18.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.631 176.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.4 mt . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.545 -177.126 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.131 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 61.1 mt -122.6 122.49 66.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.783 0.325 . . . . 0.0 110.472 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pp -117.41 153.08 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.526 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.52 130.09 3.82 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.081 -0.581 . . . . 0.0 111.846 176.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -111.41 125.35 53.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 63.3 mtm -119.22 122.42 41.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.436 -176.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 13.8 p -132.25 141.34 45.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.907 0.384 . . . . 0.0 110.244 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.19 151.54 23.13 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.195 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.07 147.06 19.02 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.855 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 p -139.45 130.18 32.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.941 0.401 . . . . 0.0 110.796 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -127.53 125.04 64.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.156 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 12.9 tt -117.71 124.49 73.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.972 0.415 . . . . 0.0 110.735 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.707 179.341 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.516 ' HA ' ' O ' ' C' ' 40' ' ' VAL . 47.9 p90 . . . . . 0 N--CA 1.448 -0.531 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -133.19 129.36 37.69 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 m -103.72 122.11 56.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.465 0.65 . . . . 0.0 110.804 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -114.98 135.77 53.85 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.179 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -142.15 136.62 30.2 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.987 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -141.15 143.5 34.29 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.115 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -140.52 128.09 21.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 88.4 mt -130.25 127.82 40.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.998 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -128.37 121.7 56.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.287 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -124.1 139.62 53.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.982 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 p90 . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 121.216 0.531 . . . . 0.0 111.241 179.652 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.785 0 N-CA-C 112.587 -0.205 . . . . 0.0 112.587 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.83 134.78 33.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.747 0.308 . . . . 0.0 110.369 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tt -124.91 130.74 73.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.144 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 24.0 pt -118.7 132.35 68.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.828 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.47 127.4 6.02 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.535 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -126.72 135.43 51.1 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 49.6 ttm -139.66 126.59 20.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.865 0.364 . . . . 0.0 110.176 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 81.7 t -124.72 133.54 69.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.433 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.34 130.15 6.29 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.43 150.15 20.62 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.151 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -125.6 120.12 56.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.757 0.313 . . . . 0.0 110.252 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' C' ' 10' ' ' TYR . 61.3 t -94.76 106.23 17.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.617 176.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 60.9 mt . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.627 -177.082 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.608 0.242 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 61.5 mt -122.54 122.51 66.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.763 0.316 . . . . 0.0 110.568 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pp -117.41 152.94 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.509 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.28 130.34 3.94 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 121.126 -0.559 . . . . 0.0 111.892 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 92.3 mt -111.67 125.66 54.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 64.1 mtm -119.67 122.27 41.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.475 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 13.9 p -131.97 141.81 44.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.784 0.326 . . . . 0.0 110.261 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.4 152.17 23.69 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.227 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.38 147.02 18.99 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.922 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 p -139.49 130.13 32.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.993 0.425 . . . . 0.0 110.919 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 p -127.45 124.92 64.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.221 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 tt -117.68 124.28 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.088 0.471 . . . . 0.0 110.891 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.676 179.478 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.2 p90 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 39' ' ' VAL . 42.6 mt-10 -118.46 136.47 53.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.6 176.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.8 p -118.32 118.43 58.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.416 0.627 . . . . 0.0 110.146 175.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -116.65 151.87 35.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.353 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -139.32 146.57 40.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 0.0 111.072 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -138.98 134.26 32.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.56 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -131.74 128.16 38.31 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.823 0.344 . . . . 0.0 111.144 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.1 mt -125.07 130.78 52.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.019 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -136.19 117.54 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.261 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -131.93 137.95 48.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -134.7 145.17 48.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.683 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.353 178.394 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.19 137.62 32.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.829 0.347 . . . . 0.0 110.852 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.7 tt -138.29 140.15 40.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.514 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.438 HG22 HG22 ' B' ' 39' ' ' VAL . 32.3 pt -115.66 144.58 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.399 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.13 131.37 5.8 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.8 tp -133.24 131.99 40.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.703 0.287 . . . . 0.0 110.773 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.8 ttm -131.66 126.33 34.37 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.951 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.413 HG13 ' HG2' ' B' ' 35' ' ' MET . 39.8 t -115.24 138.62 44.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.137 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.26 131.36 5.52 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.83 138.79 9.67 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.653 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 11' ' ' GLU . 68.8 t -126.01 124.14 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.83 112.47 40.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.25 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.5 mt . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.547 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 69.2 mt -120.83 117.22 52.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.787 0.327 . . . . 0.0 110.5 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.53 126.05 74.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.65 130.53 5.4 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.409 HD12 ' O ' ' B' ' 34' ' ' LEU . 4.0 pp -126.04 145.74 50.19 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.114 0.483 . . . . 0.0 111.034 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.413 ' HG2' HG13 ' A' ' 36' ' ' VAL . 65.5 mtm -126.54 121.37 32.1 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.357 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.82 126.14 73.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.0 143.75 14.49 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.217 -177.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.82 140.38 10.69 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.958 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.438 HG22 HG22 ' A' ' 32' ' ' ILE . 52.7 t -127.42 130.47 70.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -125.38 125.88 69.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.195 0.521 . . . . 0.0 110.548 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mt -112.3 109.6 29.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.945 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.838 -177.339 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 37.2 p90 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' C' ' 39' ' ' VAL . 42.6 mt-10 -118.32 136.3 53.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.563 176.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 p -118.0 118.53 58.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.354 0.597 . . . . 0.0 110.066 175.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -116.68 151.73 35.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.444 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -138.81 146.97 41.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.364 . . . . 0.0 111.076 -178.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -139.27 134.14 32.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.54 177.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -131.61 128.12 38.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.893 0.378 . . . . 0.0 111.173 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 95.1 mt -125.05 131.08 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.972 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -136.55 117.52 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.171 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -132.0 138.11 48.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.07 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 41.6 p90 . . . . . 0 C--N 1.321 -0.647 0 CA-C-O 120.98 0.419 . . . . 0.0 110.848 -178.819 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.398 0 N-CA-C 112.678 -0.169 . . . . 0.0 112.678 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.99 137.61 33.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.604 -0.35 . . . . 0.0 110.732 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 8.8 tt -138.34 140.19 40.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.42 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.446 HG22 HG22 ' D' ' 39' ' ' VAL . 32.3 pt -115.67 144.69 22.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.427 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.04 131.65 5.93 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.61 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 57.5 tp -133.33 131.98 40.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.809 0.338 . . . . 0.0 110.756 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 47.2 ttm -131.79 126.27 33.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.085 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.426 HG13 ' HG2' ' D' ' 35' ' ' MET . 39.9 t -115.16 138.55 45.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.216 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.06 131.37 5.55 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.07 138.58 9.47 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.625 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' C' ' 11' ' ' GLU . 67.3 t -125.79 124.41 66.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.908 0.385 . . . . 0.0 110.136 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 79.7 t -111.1 112.48 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.222 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 25.7 mt . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.667 -179.54 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -120.74 117.28 52.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.447 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.54 125.96 74.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.56 130.39 5.37 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.41 ' O ' HD12 ' D' ' 34' ' ' LEU . 4.0 pp -126.13 145.67 50.26 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.138 0.494 . . . . 0.0 110.915 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.426 ' HG2' HG13 ' C' ' 36' ' ' VAL . 67.4 mtm -126.48 121.37 32.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.332 177.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -115.81 126.31 73.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.16 143.88 14.6 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.289 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.07 140.33 10.58 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.9 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.446 HG22 HG22 ' C' ' 32' ' ' ILE . 56.6 t -127.56 130.55 70.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 178.124 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 p -125.4 125.77 69.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.317 0.579 . . . . 0.0 110.589 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 49.6 mt -111.84 109.87 30.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.024 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.342 -0.837 . . . . 0.0 109.962 -177.501 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.8 t80 . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.442 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 34.7 mt-10 -142.71 150.12 39.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.957 0.408 . . . . 0.0 110.806 177.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -112.0 113.95 45.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.336 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -116.18 135.02 54.29 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -161.15 136.17 7.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.079 0.466 . . . . 0.0 110.632 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -125.83 145.01 50.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.836 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -146.79 132.8 19.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.974 0.416 . . . . 0.0 110.85 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.8 tp -143.74 120.77 11.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.317 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -117.32 127.84 74.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -136.4 139.54 42.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.077 0.465 . . . . 0.0 110.677 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -110.85 131.05 55.38 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.533 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.675 0 CA-C-O 121.043 0.449 . . . . 0.0 110.704 -179.042 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' B' ' 40' ' ' VAL . . . -117.31 129.42 55.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.345 0.593 . . . . 0.0 111.773 -175.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 mm -113.61 122.61 68.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.344 -0.844 . . . . 0.0 108.935 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.1 tt -129.45 130.54 67.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.414 0.626 . . . . 0.0 111.514 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.45 129.27 5.63 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.392 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.6 mt -120.72 127.17 51.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.787 0.327 . . . . 0.0 110.222 -178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.0 mtm -135.53 133.5 38.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.747 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.04 131.72 67.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.975 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.39 135.58 8.66 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.509 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.13 137.94 8.74 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.018 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.9 t -105.65 117.53 51.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 11' ' ' GLU . 50.4 t -107.5 105.6 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.985 -176.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.4 mt . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.232 175.032 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 62.9 mt -125.44 113.37 34.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.711 0.291 . . . . 0.0 110.407 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 pp -116.26 154.26 17.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.616 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.87 130.85 3.75 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.96 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 48.5 tp -118.54 125.17 49.27 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.915 0.388 . . . . 0.0 110.1 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.2 mtm -112.09 121.32 44.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.948 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.2 t -127.04 126.61 68.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.812 0.339 . . . . 0.0 110.227 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.56 135.51 7.64 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.51 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.63 139.42 11.12 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.428 -0.892 . . . . 0.0 112.181 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 40.0 t -128.0 130.44 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.935 0.398 . . . . 0.0 110.228 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 98.7 t -119.93 115.95 48.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.716 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 63.4 mt -112.34 109.18 27.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.929 0.395 . . . . 0.0 110.458 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.687 178.656 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 76.5 t80 . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.435 ' HB2' ' HB ' ' C' ' 40' ' ' VAL . 35.2 mt-10 -142.47 149.86 39.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.903 0.383 . . . . 0.0 111.029 177.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -111.58 114.19 46.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.321 175.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -116.44 134.63 54.64 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -160.75 136.36 8.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.126 0.489 . . . . 0.0 110.74 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -125.77 145.39 50.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.811 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -147.32 132.42 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.975 0.417 . . . . 0.0 110.85 -177.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 60.7 tp -143.72 120.7 11.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.387 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.9 t -117.01 127.84 74.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -136.41 139.64 42.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.033 0.444 . . . . 0.0 110.73 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.526 177.618 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' D' ' 40' ' ' VAL . . . -117.47 129.3 55.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.414 0.626 . . . . 0.0 111.643 -175.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 14.9 mm -113.66 122.76 68.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.786 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 tt -129.82 130.61 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.465 0.65 . . . . 0.0 111.528 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.8 128.93 5.47 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.395 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 75.7 mt -120.44 127.22 52.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.765 0.317 . . . . 0.0 110.237 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 71.4 mtm -135.47 133.55 38.64 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.594 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 59.6 t -129.14 131.74 67.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.938 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.41 135.71 8.72 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.657 -0.783 . . . . 0.0 111.272 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.42 138.0 8.71 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.193 -1.003 . . . . 0.0 113.008 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 83.3 t -105.75 117.79 52.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.435 ' HB ' ' HB2' ' C' ' 11' ' ' GLU . 50.6 t -107.57 105.66 19.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -176.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 65.9 mt . . . . . 0 C--N 1.323 -0.587 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 174.869 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.14 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 63.2 mt -125.45 113.61 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.805 0.336 . . . . 0.0 110.329 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 pp -116.4 154.56 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.638 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.11 131.55 3.99 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.871 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 48.7 tp -119.32 125.15 48.37 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.924 0.392 . . . . 0.0 110.057 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.1 mtm -112.06 121.35 44.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.023 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 46.1 t -126.87 126.66 68.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.227 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.62 135.67 7.73 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.474 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.55 139.53 11.21 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.16 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 40.5 t -128.36 130.47 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' C' ' 30' ' ' ALA . 99.1 t -120.0 115.93 48.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.724 176.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 63.2 mt -112.11 109.18 27.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.962 0.411 . . . . 0.0 110.475 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.93 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.766 178.572 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.4 p90 . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.807 0.337 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -117.68 129.86 55.99 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.54 123.98 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.587 0.708 . . . . 0.0 111.567 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -113.34 135.34 53.96 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.051 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -149.22 138.48 21.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.04 0.448 . . . . 0.0 111.279 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -137.82 145.4 42.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.6 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -121.24 153.29 37.82 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 175.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 51.2 tp -147.67 128.02 13.95 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 m -134.78 134.52 53.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.315 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.444 ' HB3' ' HB ' ' A' ' 32' ' ' ILE . 55.6 t80 -136.73 131.33 33.33 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.904 0.383 . . . . 0.0 110.021 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -126.13 126.56 44.36 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.801 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.546 0 CA-C-O 120.881 0.372 . . . . 0.0 111.138 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 112.336 -0.306 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.71 130.74 56.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.019 0.438 . . . . 0.0 111.06 -178.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' B' ' 39' ' ' VAL . 4.0 mp -107.79 113.92 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.524 176.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.444 ' HB ' ' HB3' ' A' ' 19' ' ' PHE . 3.6 mp -106.37 124.26 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.29 -179.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.46 128.08 5.08 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.631 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 17' ' ' LEU . 47.8 tp -135.48 146.02 47.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.765 0.317 . . . . 0.0 110.615 -178.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.0 ttm -142.36 132.2 24.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.081 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 66.7 t -126.45 136.04 61.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.414 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.6 133.94 6.38 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.877 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.88 139.94 10.81 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.819 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.6 t -129.14 126.64 64.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.683 0.278 . . . . 0.0 110.516 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.448 HG23 HG12 ' B' ' 31' ' ' ILE . 2.6 p -108.41 113.09 43.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.278 0.561 . . . . 0.0 110.073 176.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.6 mt . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.089 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.697 0.284 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.448 HG12 HG23 ' A' ' 40' ' ' VAL . 66.0 mt -113.11 116.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.429 HG22 HG12 ' D' ' 40' ' ' VAL . 2.1 pp -115.04 148.83 17.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.775 0.321 . . . . 0.0 110.919 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.64 129.8 4.65 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -124.24 134.49 53.24 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.685 0.279 . . . . 0.0 110.449 -177.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -133.11 121.53 22.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.374 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -138.71 132.34 40.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.954 0.407 . . . . 0.0 110.502 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.86 166.79 34.6 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.279 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.69 160.32 30.2 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.887 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 6.6 p -142.48 133.97 25.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.894 0.378 . . . . 0.0 110.326 178.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.428 HG12 HG22 ' D' ' 32' ' ' ILE . 19.6 m -121.34 127.6 75.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.352 176.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 55.4 mt -114.71 110.04 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.562 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.681 178.218 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 48.8 p90 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -117.68 129.84 55.98 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 178.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -108.45 123.99 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.604 0.716 . . . . 0.0 111.732 -177.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -113.33 135.3 54.0 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.097 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -149.03 138.76 21.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.03 0.443 . . . . 0.0 111.215 -177.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -137.86 145.41 42.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.51 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -121.01 153.3 37.53 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 51.0 tp -147.71 128.17 14.04 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 m -134.98 134.13 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.424 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.443 ' HB3' ' HB ' ' C' ' 32' ' ' ILE . 54.9 t80 -136.5 130.85 33.13 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.804 0.335 . . . . 0.0 110.132 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.82 -178.888 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.685 0 N-CA-C 112.184 -0.366 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.73 130.92 57.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.951 0.405 . . . . 0.0 111.221 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' D' ' 39' ' ' VAL . 4.0 mp -107.74 114.13 45.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.477 176.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.443 ' HB ' ' HB3' ' C' ' 19' ' ' PHE . 3.6 mp -106.67 124.28 62.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.253 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.74 127.94 4.98 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.563 176.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 48.9 tp -135.43 145.87 47.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.676 0.274 . . . . 0.0 110.526 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 51.1 ttm -142.16 132.19 24.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.979 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 65.0 t -126.38 136.26 61.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.372 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.96 134.02 6.35 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.797 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.8 140.49 11.29 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.849 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 60.8 t -129.37 126.54 63.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.732 0.301 . . . . 0.0 110.469 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.46 HG23 HG12 ' D' ' 31' ' ' ILE . 2.6 p -108.24 113.25 43.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.222 0.534 . . . . 0.0 110.113 176.043 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 57.4 mt . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.097 179.871 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.671 0.272 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.46 HG12 HG23 ' C' ' 40' ' ' VAL . 66.2 mt -113.12 116.68 53.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.428 HG22 HG12 ' B' ' 40' ' ' VAL . 2.1 pp -114.92 149.15 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 -178.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.06 129.84 4.6 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 174.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -124.23 134.62 53.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.612 0.244 . . . . 0.0 110.539 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 25.7 ttt -133.13 121.6 22.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.43 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -139.01 132.22 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.05 0.452 . . . . 0.0 110.427 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.81 166.86 34.59 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.263 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.94 160.42 30.36 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 121.047 -0.596 . . . . 0.0 111.808 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 6.7 p -142.63 133.74 24.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 120.945 0.402 . . . . 0.0 110.335 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.429 HG12 HG22 ' B' ' 32' ' ' ILE . 20.4 m -120.97 127.63 75.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.305 176.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 55.1 mt -114.69 110.07 30.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.61 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.889 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.512 178.362 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.3 p90 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -123.09 133.46 54.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.339 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m -106.2 143.83 16.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.686 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -144.91 135.95 24.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.269 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -159.54 138.51 10.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.045 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -142.31 154.17 44.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.124 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -141.55 149.39 40.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.916 0.389 . . . . 0.0 110.689 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -134.07 130.55 37.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.727 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.47 117.25 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.841 0.353 . . . . 0.0 110.24 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.03 121.01 36.01 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -135.22 137.45 42.63 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.181 0.515 . . . . 0.0 111.526 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.86 178.217 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.738 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.67 138.46 25.91 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.754 0.312 . . . . 0.0 110.507 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.0 tt -130.07 124.16 57.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.339 0.59 . . . . 0.0 110.516 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 32' ' ' ILE . 4.1 mp -112.01 121.44 64.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.684 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.11 129.1 7.47 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.853 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.1 tp -134.75 129.99 35.5 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttm -142.26 136.22 29.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.689 0.28 . . . . 0.0 110.492 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.14 140.1 43.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.467 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.15 140.85 8.65 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.79 161.49 30.29 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.721 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -129.72 130.35 66.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.791 0.329 . . . . 0.0 110.401 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -106.28 112.81 41.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.665 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.5 mt . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.765 -176.644 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.414 ' HA ' ' HB3' ' D' ' 42' ' ' ALA . . . . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.683 0.278 . . . . 0.0 110.713 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 70.2 mt -133.28 125.49 51.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.431 . . . . 0.0 110.998 -176.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.07 136.69 60.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.771 175.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.5 130.29 3.89 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.062 177.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 60.9 tp -123.4 127.22 48.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.756 0.312 . . . . 0.0 110.485 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 27.9 ttt -125.53 121.79 34.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.244 -178.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.43 133.26 69.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.933 0.397 . . . . 0.0 110.852 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.68 142.07 11.97 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.98 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.28 143.91 12.73 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.137 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.19 131.37 72.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.977 0.418 . . . . 0.0 110.344 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.94 117.83 51.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.933 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.416 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 55.7 mt -116.77 125.02 73.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.964 -179.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' D' ' 30' ' ' ALA . . . . . . . . 0 C--O 1.248 1.001 0 O-C-N 124.209 0.943 . . . . 0.0 111.111 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 44.9 p90 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.78 0.324 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -122.87 133.47 54.42 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.303 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 m -106.36 143.62 16.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -144.96 135.27 24.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.297 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -158.32 140.03 13.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.738 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -143.23 154.44 43.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.102 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -141.43 149.33 40.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.878 0.371 . . . . 0.0 110.783 177.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.2 mt -133.85 130.96 38.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.759 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.93 117.11 43.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -122.02 120.66 35.02 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 35.5 p90 . . . . . 0 C--N 1.322 -0.604 0 CA-C-O 121.189 0.519 . . . . 0.0 111.471 -178.089 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.955 0 N-CA-C 111.631 -0.588 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.69 138.12 25.66 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.778 0.323 . . . . 0.0 110.669 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 11.9 tt -129.69 124.17 58.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.323 0.582 . . . . 0.0 110.447 177.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.409 ' N ' HD12 ' C' ' 32' ' ' ILE . 4.1 mp -111.99 121.5 64.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.734 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.0 129.48 7.64 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.686 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 57.1 tp -135.05 129.9 34.78 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 51.2 ttm -142.33 136.15 29.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.764 0.316 . . . . 0.0 110.533 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.12 140.12 43.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.478 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.23 140.66 8.5 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.511 -0.635 . . . . 0.0 111.511 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.77 161.3 30.18 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.671 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -129.42 130.46 67.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.872 0.368 . . . . 0.0 110.348 -178.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 60.5 t -106.44 112.77 40.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.713 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 68.0 mt . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.853 -176.676 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.539 ' HA ' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 120.702 0.287 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.416 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 70.4 mt -133.15 125.35 51.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.948 0.404 . . . . 0.0 110.983 -176.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.79 137.03 58.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.59 130.32 3.89 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.015 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 60.4 tp -123.66 127.13 47.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.787 0.327 . . . . 0.0 110.473 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 28.0 ttt -125.56 121.86 34.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.232 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -125.52 133.4 69.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.116 0.484 . . . . 0.0 110.81 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.71 142.22 12.1 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.986 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.24 143.91 12.74 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.108 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -124.09 131.63 72.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.036 0.446 . . . . 0.0 110.383 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.93 118.06 52.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.824 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 56.4 mt -116.83 125.09 73.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.932 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 42' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' B' ' 30' ' ' ALA . . . . . . . . 0 C--O 1.247 0.946 0 O-C-N 124.21 0.943 . . . . 0.0 111.121 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.5 p90 . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 120.909 0.385 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -112.24 129.76 56.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.213 172.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.94 134.8 54.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.857 0.36 . . . . 0.0 110.575 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -140.55 135.29 31.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -120.82 136.59 54.87 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -134.93 134.05 40.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.724 0.297 . . . . 0.0 110.335 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -122.8 133.77 54.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.317 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.64 121.97 31.85 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.835 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 m -125.43 137.63 57.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.088 0.47 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -135.68 138.94 43.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.457 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -132.76 133.57 43.61 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.327 0.584 . . . . 0.0 111.12 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.681 176.464 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' B' ' 40' ' ' VAL . . . -141.81 130.75 23.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.426 0.613 . . . . 0.0 111.625 -176.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -122.09 128.67 75.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.6 tt -130.88 136.53 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.986 0.422 . . . . 0.0 110.499 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.79 142.43 10.62 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.737 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -140.05 140.7 36.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.006 0.431 . . . . 0.0 110.584 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 70.5 mtm -126.86 129.73 48.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.689 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -121.86 131.79 72.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.427 -178.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.76 130.58 9.02 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.35 145.52 17.35 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.625 -177.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.3 t -129.44 121.14 52.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.7 t -104.49 106.27 20.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.953 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--N 1.322 -0.606 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.055 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -127.09 120.5 55.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.549 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -115.92 149.11 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.308 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.73 130.55 3.25 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.125 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -115.67 134.55 54.93 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 59.1 mtm -119.97 123.26 43.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.773 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -122.36 125.93 73.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.3 162.23 28.4 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.902 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.93 153.51 24.8 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.17 -0.538 . . . . 0.0 111.766 177.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -142.03 132.06 24.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.979 0.419 . . . . 0.0 110.604 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 16.8 m -124.34 123.53 66.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.8 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 58.2 mt -114.83 109.47 28.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.057 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.769 -179.187 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 38.5 p90 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.143 0.497 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -112.08 129.61 56.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.28 172.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.72 135.18 52.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.886 0.374 . . . . 0.0 110.582 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -141.1 135.49 31.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.759 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -120.9 136.43 54.94 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -134.68 134.08 40.72 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -123.01 133.85 54.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.983 0.42 . . . . 0.0 110.405 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.61 121.97 31.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.726 178.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 20.5 m -125.37 137.39 57.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.982 0.42 . . . . 0.0 110.98 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -135.33 139.17 44.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 35.3 p90 . . . . . 0 C--N 1.322 -0.594 0 CA-C-O 121.269 0.556 . . . . 0.0 111.12 -177.708 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' D' ' 40' ' ' VAL . . . -142.35 130.76 22.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.346 0.573 . . . . 0.0 111.602 -177.063 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.98 128.75 75.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.524 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.7 tt -130.92 136.71 57.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.037 0.446 . . . . 0.0 110.574 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.03 141.95 10.12 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.665 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -139.76 140.74 36.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.025 0.441 . . . . 0.0 110.581 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 70.0 mtm -126.62 129.93 49.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.772 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.3 t -121.93 131.7 72.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.493 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.75 130.47 8.96 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.38 145.66 17.48 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.625 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 88.5 t -129.51 120.92 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.842 0.353 . . . . 0.0 110.08 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -104.25 106.09 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.978 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 24.8 mt . . . . . 0 C--N 1.321 -0.669 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.04 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.71 0.291 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 66.5 mt -127.05 120.08 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.495 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -115.72 149.35 17.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.66 130.8 3.33 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.033 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 96.8 mt -115.93 134.73 54.67 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 59.3 mtm -120.19 123.21 42.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -174.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.42 125.94 73.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.41 162.12 28.41 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.952 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.01 153.17 24.54 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 p -142.01 132.09 24.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.017 0.437 . . . . 0.0 110.504 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' C' ' 30' ' ' ALA . 16.8 m -124.25 123.53 66.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.683 178.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 58.9 mt -114.9 109.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.066 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.729 -179.001 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.7 p90 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.16 134.05 55.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.829 0.347 . . . . 0.0 111.16 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 39' ' ' VAL . 3.6 p -122.79 133.13 69.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.562 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -139.56 153.0 47.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.073 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -141.84 145.55 34.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.807 0.337 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -126.43 135.45 51.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.909 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -127.65 129.92 48.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.834 0.35 . . . . 0.0 110.789 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.4 mt -130.49 131.32 45.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.288 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.3 m -128.36 131.14 69.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.144 0.497 . . . . 0.0 110.68 178.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -134.96 129.33 34.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.507 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -101.46 111.43 23.66 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.677 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.733 0 CA-C-O 120.935 0.397 . . . . 0.0 110.083 178.845 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 111.954 -0.458 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' B' ' 40' ' ' VAL . . . -133.92 130.03 37.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.969 0.414 . . . . 0.0 110.864 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.431 ' N ' HD12 ' A' ' 31' ' ' ILE . 3.9 mp -103.39 123.1 56.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.9 mt -115.33 115.96 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.918 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.8 127.59 7.19 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.319 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.5 mt -131.21 130.29 42.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.659 0.266 . . . . 0.0 110.603 -177.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 66.7 mtt -134.86 133.36 39.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.513 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 64.2 t -130.33 131.86 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.386 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.87 130.72 8.91 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.35 138.93 11.01 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.956 -177.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.438 HG22 HG23 ' A' ' 12' ' ' VAL . 48.0 t -132.59 131.87 59.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.792 0.33 . . . . 0.0 110.747 -177.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.6 t -93.9 105.98 17.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 173.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mt . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -175.059 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.193 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 54.5 mt -103.53 113.8 41.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.827 0.346 . . . . 0.0 110.368 -178.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -108.45 154.13 9.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.512 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.48 129.78 3.57 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.958 177.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.3 tp -107.47 125.41 51.22 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 63.1 mtt -113.06 122.12 46.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.392 -176.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.9 m -130.96 140.81 47.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.952 0.406 . . . . 0.0 110.276 177.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.94 162.01 31.44 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.082 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.85 139.55 8.05 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.583 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 27.5 m -130.84 134.86 61.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.027 0.441 . . . . 0.0 110.413 179.133 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 4.0 p -126.23 126.39 69.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.411 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mt -107.71 109.27 27.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.012 -179.722 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 42.9 p90 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -117.97 134.34 55.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.853 0.359 . . . . 0.0 111.194 -176.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.441 HG23 HG22 ' C' ' 39' ' ' VAL . 3.7 p -122.89 132.77 70.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.614 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -139.2 152.74 47.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.938 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -141.66 145.44 34.95 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.718 0.294 . . . . 0.0 110.773 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -126.48 135.64 51.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.969 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -127.83 129.92 47.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.137 0.494 . . . . 0.0 110.9 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -130.51 131.53 45.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.134 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 15.4 m -128.61 131.29 68.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.965 0.412 . . . . 0.0 110.538 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -135.06 129.32 33.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.66 -177.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 56.2 t80 . . . . . 0 C--N 1.321 -0.668 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.749 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.52 0 N-CA-C 111.792 -0.523 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' D' ' 40' ' ' VAL . . . -133.97 130.06 37.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.027 0.442 . . . . 0.0 110.949 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.425 ' N ' HD12 ' C' ' 31' ' ' ILE . 3.9 mp -103.53 123.18 56.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 64.2 mt -115.37 115.72 50.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.55 127.41 7.15 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.441 -0.663 . . . . 0.0 111.441 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 78.6 mt -131.08 130.52 43.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.644 0.259 . . . . 0.0 110.691 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 66.0 mtt -135.03 133.13 39.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.762 0.315 . . . . 0.0 110.501 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 64.6 t -130.1 131.81 65.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.456 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.11 130.46 8.74 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.516 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.06 138.87 11.04 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.996 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.441 HG22 HG23 ' C' ' 12' ' ' VAL . 48.1 t -132.79 131.93 59.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.862 0.363 . . . . 0.0 110.621 -177.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.98 106.19 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 173.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 47.7 mt . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.748 -175.181 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.194 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 56.2 mt -103.51 113.93 41.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.773 0.321 . . . . 0.0 110.381 -178.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -108.48 154.44 9.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.496 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.66 129.85 3.58 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.067 177.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 57.4 tp -107.53 125.5 51.37 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 63.4 mtt -113.09 121.8 45.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.427 -176.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 24.9 m -130.85 140.83 47.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.035 0.445 . . . . 0.0 110.231 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.74 162.55 31.7 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.095 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.17 139.77 8.13 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.601 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 27.7 m -131.01 134.84 61.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.981 0.419 . . . . 0.0 110.352 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' C' ' 30' ' ' ALA . 4.1 p -126.26 126.29 69.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.455 176.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 48.3 mt -107.67 109.22 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.055 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.329 -0.844 . . . . 0.0 110.081 -179.715 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.689 0.281 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.92 88.43 2.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.929 0.395 . . . . 0.0 110.564 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.93 -46.85 11.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.447 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -88.03 59.26 5.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.615 0.722 . . . . 0.0 109.465 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -159.61 91.84 1.01 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.269 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -79.53 -40.31 29.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.332 0.587 . . . . 0.0 109.611 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -164.83 -172.72 2.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.036 -0.984 . . . . 0.0 108.889 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.2 p -130.97 36.5 3.86 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.896 0.379 . . . . 0.0 110.815 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.1 54.36 4.72 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.134 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -140.95 159.85 41.33 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -134.3 130.02 36.42 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.1 p -98.31 138.84 21.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.051 0.453 . . . . 0.0 110.602 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -127.58 135.64 50.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -147.96 136.03 21.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.857 0.36 . . . . 0.0 110.233 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -147.86 133.13 18.44 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -138.02 140.01 39.9 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 17' ' ' LEU . 1.9 pt? -152.36 149.74 28.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.234 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -125.31 141.72 44.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.456 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -126.78 129.59 48.63 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -125.71 130.16 50.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.239 0.542 . . . . 0.0 110.982 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.416 ' HB1' ' OD2' ' A' ' 23' ' ' ASP . . . -128.7 130.93 47.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.425 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -111.06 3.96 19.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.344 0.592 . . . . 0.0 110.056 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.416 ' OD2' ' HB1' ' A' ' 21' ' ' ALA . 6.5 p-10 -85.55 25.37 1.06 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.072 -178.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.2 t -88.7 -38.87 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.422 0.63 . . . . 0.0 109.437 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.24 170.38 38.66 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.344 -1.103 . . . . 0.0 110.344 176.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -66.69 -35.76 80.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 117.491 0.645 . . . . 0.0 109.514 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -127.38 54.03 1.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.001 174.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -160.54 138.2 9.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.78 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.59 165.72 26.71 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.206 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.76 131.87 36.08 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.767 0.317 . . . . 0.0 110.52 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 tt -131.58 139.06 51.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.362 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 tt -131.53 133.33 61.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.479 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.408 ' O ' ' HA2' ' B' ' 37' ' ' GLY . . . -118.08 132.5 9.86 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.2 tp -123.97 128.54 49.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.822 0.344 . . . . 0.0 110.655 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.1 mtm -130.92 120.93 24.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.821 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -123.12 131.7 72.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.905 0.384 . . . . 0.0 110.571 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.99 131.13 5.72 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 177.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.93 154.28 25.52 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.845 -176.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -133.66 127.2 52.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.491 HG23 HG12 ' B' ' 31' ' ' ILE . 4.1 p -116.14 125.55 73.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.985 0.421 . . . . 0.0 110.629 177.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.29 122.83 67.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.159 -177.513 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.12 32.67 4.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.752 0.31 . . . . 0.0 111.169 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -96.48 143.57 27.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.057 0.456 . . . . 0.0 110.072 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -122.11 71.23 0.99 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.085 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -64.26 101.08 0.38 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.277 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -88.56 -59.57 2.2 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ASP . . . . . 0.518 ' HB3' ' HA ' ' B' ' 11' ' ' GLU . 4.9 m-20 -95.71 72.37 3.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.076 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t -89.17 138.01 31.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.237 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.19 -60.37 4.77 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.994 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -143.98 133.65 23.64 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.518 ' HA ' ' HB3' ' B' ' 7' ' ' ASP . 43.8 mt-10 -73.09 106.97 5.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.203 0.525 . . . . 0.0 110.266 178.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 m -101.04 -19.43 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.819 -176.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -75.45 86.73 2.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.16 0.505 . . . . 0.0 110.668 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -101.52 -31.48 10.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.628 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -99.36 109.83 22.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.087 0.47 . . . . 0.0 110.388 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -86.68 18.89 3.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.69 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -60.59 -37.48 81.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.429 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 p -67.81 -24.4 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.857 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -84.87 -34.25 22.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.114 0.483 . . . . 0.0 109.852 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -67.45 -45.09 77.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.231 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.62 3.58 47.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.236 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 63.48 179.17 0.16 Allowed 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.92 0.762 . . . . 0.0 111.032 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -146.99 157.84 43.74 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.302 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 m -122.04 32.22 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.136 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.81 -73.31 1.7 Allowed Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.776 -175.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 44.5 m -134.62 138.09 44.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -79.33 69.59 5.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 71.51 -52.99 0.69 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.756 -174.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -164.84 -152.69 7.14 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.92 127.11 12.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.808 0.304 . . . . 0.0 110.648 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.491 HG12 HG23 ' A' ' 40' ' ' VAL . 78.0 mt -127.41 125.11 65.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.406 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.452 HD13 ' N ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -134.86 130.45 52.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.662 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.452 ' N ' HD13 ' B' ' 32' ' ' ILE . . . -138.63 130.63 5.0 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.959 178.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.7 tp -112.43 126.23 55.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.813 0.34 . . . . 0.0 110.319 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 59.2 mtt -115.03 121.11 42.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.94 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.5 t -123.92 126.56 72.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.125 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 33' ' ' GLY . . . -140.95 136.41 7.54 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.91 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.57 139.86 11.84 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.027 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -118.42 130.8 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.036 0.446 . . . . 0.0 110.566 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 73.2 t -125.78 114.44 39.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.877 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 55.1 mt -116.64 109.49 28.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.674 -178.001 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.747 0.308 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.43 88.01 2.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.064 0.459 . . . . 0.0 110.679 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -83.63 -47.24 11.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.394 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -87.75 59.16 5.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.592 0.71 . . . . 0.0 109.51 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -159.49 91.97 1.03 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.175 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -79.65 -40.07 29.99 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.425 0.631 . . . . 0.0 109.742 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -165.03 -172.72 2.65 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.049 -0.978 . . . . 0.0 108.936 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 16.2 p -130.92 36.49 3.87 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.983 0.42 . . . . 0.0 110.797 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.74 54.42 4.65 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.099 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -141.29 159.31 42.48 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -133.77 130.19 37.68 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 p -98.52 138.96 21.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.963 0.411 . . . . 0.0 110.48 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -127.46 136.23 51.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -148.7 135.82 20.11 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.818 0.342 . . . . 0.0 110.213 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -147.95 133.01 18.22 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -137.51 140.56 41.2 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -152.63 149.94 28.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.225 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -125.69 141.3 45.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.082 0.467 . . . . 0.0 110.52 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -126.5 129.4 48.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.818 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -125.35 130.4 51.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.027 0.442 . . . . 0.0 110.886 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.415 ' HB1' ' OD2' ' C' ' 23' ' ' ASP . . . -129.04 131.04 47.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.574 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -111.01 3.47 18.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.328 0.585 . . . . 0.0 110.102 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.415 ' OD2' ' HB1' ' C' ' 21' ' ' ALA . 6.5 p-10 -85.09 25.18 0.99 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.148 -178.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 26.3 t -88.58 -38.67 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.548 0.69 . . . . 0.0 109.399 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.46 170.24 38.78 Favored Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -66.7 -35.37 79.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 117.424 0.612 . . . . 0.0 109.47 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -127.66 53.34 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.038 175.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -160.3 138.38 9.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.727 176.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.86 165.75 26.8 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.24 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.88 131.61 35.47 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.655 0.264 . . . . 0.0 110.49 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 tt -131.3 139.14 51.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 120.911 0.386 . . . . 0.0 110.313 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 tt -131.7 133.29 61.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.454 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.417 ' O ' ' HA2' ' D' ' 37' ' ' GLY . . . -118.06 132.43 9.83 Favored Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 176.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 61.4 tp -123.83 128.39 49.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.847 0.356 . . . . 0.0 110.732 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 53.6 mtm -131.02 120.92 24.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.74 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -122.92 132.0 72.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.783 0.325 . . . . 0.0 110.517 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.48 130.91 5.57 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.75 154.24 25.45 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.874 -176.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 45.2 t -133.69 126.98 52.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.497 HG23 HG12 ' D' ' 31' ' ' ILE . 4.2 p -115.83 125.65 73.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.988 0.423 . . . . 0.0 110.747 177.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.35 122.89 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.157 -177.412 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.32 32.66 4.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.764 0.316 . . . . 0.0 111.142 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -96.5 143.19 27.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.105 0.478 . . . . 0.0 110.237 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -121.74 71.22 0.97 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.035 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -63.98 101.38 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.169 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -88.79 -59.81 2.13 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' ASP . . . . . 0.522 ' HB3' ' HA ' ' D' ' 11' ' ' GLU . 4.9 m-20 -95.68 73.17 3.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.965 178.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t -89.89 138.25 31.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.226 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.06 -60.24 4.81 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.91 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -144.08 133.73 23.61 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.522 ' HA ' ' HB3' ' D' ' 7' ' ' ASP . 44.0 mt-10 -72.89 106.58 4.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.152 0.501 . . . . 0.0 110.397 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 30.1 m -100.74 -19.42 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.806 -176.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -75.45 86.97 2.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.17 0.509 . . . . 0.0 110.529 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -101.88 -31.27 10.79 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.727 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -99.45 110.1 22.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.318 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -86.87 19.21 3.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.7 -37.6 82.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.319 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 p -67.88 -24.22 30.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.875 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -84.93 -34.23 22.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.117 0.484 . . . . 0.0 109.911 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -67.35 -45.3 76.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.215 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.51 3.59 48.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.208 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 63.26 179.37 0.15 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.134 -176.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -147.16 158.54 43.98 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.1 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 14.3 m -122.81 32.43 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.942 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.56 -73.23 1.65 Allowed Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.732 -175.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 41.9 m -134.41 138.09 44.54 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -79.3 69.35 5.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.06 0.457 . . . . 0.0 109.862 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 71.94 -52.34 0.69 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.761 -175.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.54 -152.67 7.25 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.05 127.25 12.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.758 0.279 . . . . 0.0 110.751 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 77.8 mt -127.51 125.25 65.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.275 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.446 HD13 ' N ' ' D' ' 33' ' ' GLY . 0.0 OUTLIER -134.98 130.49 52.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.552 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.446 ' N ' HD13 ' D' ' 32' ' ' ILE . . . -138.36 130.53 5.0 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.075 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 57.2 tp -112.38 126.37 55.21 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.757 0.313 . . . . 0.0 110.247 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 58.7 mtt -114.93 121.03 41.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.057 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.9 126.82 73.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.094 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' C' ' 33' ' ' GLY . . . -141.48 136.28 7.34 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.967 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.17 140.01 12.03 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.025 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.53 130.86 72.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.037 0.446 . . . . 0.0 110.664 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 69.5 t -125.76 114.32 38.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.958 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.475 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 55.4 mt -116.55 109.34 27.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.682 -0.675 . . . . 0.0 109.622 -177.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.469 0.176 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.37 168.16 14.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.601 -0.148 . . . . 0.0 110.601 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 62.34 79.31 0.26 Allowed 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.654 0.596 . . . . 0.0 111.144 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -86.77 -65.55 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.324 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 57.09 94.41 0.03 OUTLIER 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.33 -175.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -79.63 69.48 5.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.194 0.521 . . . . 0.0 110.331 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -87.24 -173.56 4.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.672 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.8 t -168.01 114.51 0.7 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.784 0.326 . . . . 0.0 110.212 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.21 -136.4 9.12 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.459 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -146.28 153.95 41.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.75 0.309 . . . . 0.0 110.675 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -131.33 144.35 51.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.402 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -126.89 130.79 71.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.075 0.464 . . . . 0.0 110.808 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -142.49 146.17 34.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.758 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -140.72 161.92 36.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.864 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -152.77 143.55 22.86 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -139.26 137.46 35.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.019 0.437 . . . . 0.0 110.79 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -134.77 134.3 40.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.0 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.2 m -125.39 135.68 63.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.07 0.462 . . . . 0.0 110.538 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.405 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 64.0 m-85 -131.76 135.3 46.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.973 -178.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -134.71 129.97 35.55 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.724 0.297 . . . . 0.0 110.299 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.53 128.99 30.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.484 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -107.46 14.25 26.06 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.498 0.666 . . . . 0.0 109.837 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.28 22.26 0.85 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.166 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.1 t -89.92 -25.23 5.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.191 0.519 . . . . 0.0 110.027 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.44 -157.3 14.77 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.3 m -84.5 -41.11 16.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.953 0.406 . . . . 0.0 110.615 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -133.7 38.37 3.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.171 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.526 ' HB2' ' OXT' ' B' ' 42' ' ' ALA . 10.7 ptmm? -148.8 150.91 33.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.591 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.42 -169.72 25.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.302 -0.951 . . . . 0.0 113.2 -174.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.33 140.21 33.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.77 0.319 . . . . 0.0 110.786 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.06 133.84 68.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.431 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.405 ' HB ' ' HB2' ' A' ' 19' ' ' PHE . 55.0 mt -124.86 138.84 52.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.325 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.28 128.42 4.34 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.789 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.6 tp -120.94 123.15 41.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.752 0.31 . . . . 0.0 110.319 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.5 mmt -119.82 123.77 44.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.956 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.492 HG13 ' HG2' ' B' ' 35' ' ' MET . 63.9 t -121.11 137.19 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.928 -178.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.26 134.29 6.44 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.13 142.57 12.65 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.917 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.7 t -128.68 128.75 68.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.472 HG13 HG12 ' B' ' 31' ' ' ILE . 58.7 t -114.0 122.61 68.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.182 179.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.7 pt -118.01 132.83 66.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.712 0.292 . . . . 0.0 110.493 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.57 -178.253 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.887 0.375 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.37 -9.64 44.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.247 0.546 . . . . 0.0 109.93 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -80.79 137.54 36.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.208 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -128.99 7.95 5.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.166 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.514 ' HE ' ' CD ' ' B' ' 11' ' ' GLU . 22.7 ttt180 -131.71 -52.55 0.99 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.467 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -74.31 85.55 1.95 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.236 0.541 . . . . 0.0 111.492 -173.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' B' ' 9' ' ' GLY . 8.2 p-10 -91.01 -20.29 22.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.334 179.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.1 t 73.33 1.74 4.09 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.513 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.403 ' H ' ' CG ' ' B' ' 7' ' ' ASP . . . -100.66 -45.18 1.99 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 174.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -95.56 -41.81 8.75 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 171.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.514 ' CD ' ' HE ' ' B' ' 5' ' ' ARG . 16.1 mm-40 -78.33 72.04 4.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.396 174.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 16.6 m -96.71 -24.19 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.123 -176.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -75.01 100.08 4.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.965 0.412 . . . . 0.0 110.882 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -83.01 70.8 10.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.43 0.633 . . . . 0.0 109.81 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -83.34 4.09 28.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.594 -175.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -114.02 17.55 17.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.048 0.451 . . . . 0.0 110.238 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.02 -29.71 69.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.452 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 p -67.8 -28.04 40.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.03 0.443 . . . . 0.0 110.595 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -84.87 -20.24 31.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.161 0.505 . . . . 0.0 110.216 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -85.23 -31.46 23.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.007 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.3 81.58 7.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.181 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.06 137.94 58.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.492 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -91.89 143.41 26.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.157 0.503 . . . . 0.0 111.02 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 10.6 p -147.45 28.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 122.162 0.982 . . . . 0.0 108.538 174.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.18 21.14 2.63 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.995 -175.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.7 m -74.21 162.74 28.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.864 0.332 . . . . 0.0 110.877 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 69.56 70.74 0.25 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.624 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -71.53 94.31 1.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.735 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.72 71.09 1.0 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.284 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.66 134.47 35.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.038 0.447 . . . . 0.0 110.998 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.472 HG12 HG13 ' A' ' 40' ' ' VAL . 75.1 mt -115.55 114.63 46.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.32 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.42 128.15 62.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 177.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.59 130.2 6.08 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.846 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 67.4 tp -121.16 127.09 51.2 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.492 ' HG2' HG13 ' A' ' 36' ' ' VAL . 60.0 mtt -124.3 120.72 33.0 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.817 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -120.88 128.11 76.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.082 0.467 . . . . 0.0 110.27 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.9 135.34 8.2 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.564 -0.826 . . . . 0.0 111.972 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.59 142.92 13.98 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.582 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 p -136.37 132.12 48.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.087 0.47 . . . . 0.0 110.808 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 49.7 t -118.21 113.65 42.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 55.7 mt -107.56 114.26 45.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.017 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.526 ' OXT' ' HB2' ' A' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.733 -0.651 . . . . 0.0 109.606 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.567 0.223 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.67 168.66 14.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.886 -0.143 . . . . 0.0 110.664 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 61.53 79.3 0.26 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.763 0.665 . . . . 0.0 111.261 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -86.7 -65.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.279 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 56.72 94.63 0.02 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.31 -175.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -79.83 69.51 6.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.263 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.43 -173.1 4.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.602 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 44.5 t -168.31 114.43 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 -177.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.22 -136.25 9.05 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.371 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -146.3 153.68 40.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.909 0.385 . . . . 0.0 110.855 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -131.12 144.27 51.27 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.443 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 17.6 m -126.63 131.4 71.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.003 0.43 . . . . 0.0 110.637 -177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -142.87 146.21 33.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.701 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -140.8 161.86 36.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.953 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -152.75 143.45 22.8 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -139.13 137.69 36.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.931 0.396 . . . . 0.0 110.81 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -135.15 133.7 39.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.001 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 m -124.57 136.33 60.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.094 0.473 . . . . 0.0 110.512 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -132.19 135.39 46.3 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.986 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -134.74 130.05 35.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.782 0.325 . . . . 0.0 110.396 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.52 129.14 30.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 177.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -107.86 14.4 25.43 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.576 0.703 . . . . 0.0 109.774 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -82.12 21.65 0.88 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.166 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -89.48 -25.24 5.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.162 0.506 . . . . 0.0 109.989 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.28 -157.19 14.35 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.526 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.0 m -84.57 -41.76 16.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.009 0.433 . . . . 0.0 110.439 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -133.14 38.67 3.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.214 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.525 ' HB2' ' OXT' ' D' ' 42' ' ' ALA . 10.8 ptmm? -149.25 151.17 33.78 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.57 -169.72 25.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.271 -0.966 . . . . 0.0 113.161 -174.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.97 140.45 34.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.696 0.284 . . . . 0.0 110.851 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.32 133.57 68.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.552 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.415 HG12 HG23 ' D' ' 39' ' ' VAL . 55.0 mt -124.63 138.92 52.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.402 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.38 128.1 4.21 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.713 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 59.8 tp -120.69 123.17 42.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.668 0.27 . . . . 0.0 110.422 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 23.6 mmt -120.04 123.3 43.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.031 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.491 HG13 ' HG2' ' D' ' 35' ' ' MET . 62.9 t -120.63 137.38 54.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.011 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.46 134.67 6.6 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.35 142.43 12.43 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.854 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.49 128.65 68.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.481 HG13 HG12 ' D' ' 31' ' ' ILE . 58.8 t -113.82 122.76 68.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.191 178.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 25.2 pt -118.14 132.68 67.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.665 0.269 . . . . 0.0 110.545 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.46 -178.304 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.748 0.309 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.04 -9.28 46.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.134 0.492 . . . . 0.0 110.216 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.02 137.54 36.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.164 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -129.08 8.1 5.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.188 177.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' ARG . . . . . 0.519 ' HE ' ' CD ' ' D' ' 11' ' ' GLU . 22.4 ttt180 -131.67 -52.73 1.0 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.431 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -74.34 85.49 1.96 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.304 0.573 . . . . 0.0 111.511 -173.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' ASP . . . . . 0.404 ' CG ' ' H ' ' D' ' 9' ' ' GLY . 8.0 p-10 -91.1 -19.77 22.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.469 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 28.8 t 72.84 1.62 4.08 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.509 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' GLY . . . . . 0.404 ' H ' ' CG ' ' D' ' 7' ' ' ASP . . . -100.68 -45.15 1.99 Allowed Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 174.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -95.57 -41.85 8.72 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 171.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.519 ' CD ' ' HE ' ' D' ' 5' ' ' ARG . 16.1 mm-40 -78.42 72.11 4.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.293 174.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 16.5 m -96.72 -24.23 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.069 -176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -75.24 100.0 4.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.972 0.415 . . . . 0.0 110.834 -177.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -82.94 70.96 10.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.433 0.635 . . . . 0.0 109.824 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -83.34 4.03 29.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.714 -175.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -114.11 17.6 17.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.993 0.425 . . . . 0.0 110.228 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 58.9 tp -66.97 -29.65 69.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.5 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 p -67.81 -28.17 40.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.054 0.454 . . . . 0.0 110.576 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -84.9 -20.25 31.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.153 0.502 . . . . 0.0 110.209 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -85.15 -31.6 23.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.967 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.25 81.74 7.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.195 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -64.81 138.14 58.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.55 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -91.93 143.71 26.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 10.6 p -147.7 28.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 122.112 0.958 . . . . 0.0 108.552 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.23 20.84 2.62 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.922 -175.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -74.07 162.7 28.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.784 0.292 . . . . 0.0 110.836 176.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 69.45 70.56 0.25 Allowed 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.623 0.577 . . . . 0.0 110.652 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -71.3 94.12 1.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.99 71.32 1.0 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.26 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.75 134.64 35.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.103 0.477 . . . . 0.0 110.902 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.481 HG12 HG13 ' C' ' 40' ' ' VAL . 76.4 mt -115.79 114.64 46.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.226 178.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.5 128.07 62.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 177.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.55 129.98 6.01 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.956 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 66.6 tp -120.92 126.75 50.8 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.834 0.349 . . . . 0.0 110.23 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.491 ' HG2' HG13 ' C' ' 36' ' ' VAL . 60.1 mtt -123.83 120.97 34.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.818 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 m -121.03 127.81 75.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.969 0.414 . . . . 0.0 110.278 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.76 135.44 8.27 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.938 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.02 143.36 14.33 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.495 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.415 HG23 HG12 ' C' ' 32' ' ' ILE . 6.8 p -136.7 132.1 47.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.145 0.497 . . . . 0.0 110.853 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 50.7 t -118.2 113.45 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt -107.61 114.47 46.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.977 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 42' ' ' ALA . . . . . 0.525 ' OXT' ' HB2' ' C' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.701 -0.666 . . . . 0.0 109.519 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.758 0.313 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.18 -32.93 26.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.136 0.493 . . . . 0.0 110.088 176.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -114.2 146.28 40.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.653 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -130.13 90.09 2.9 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 171.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -69.69 -20.76 63.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.357 -177.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -96.25 57.94 1.76 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.564 174.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -62.44 -29.16 70.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.704 -175.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -91.74 9.58 31.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.115 0.483 . . . . 0.0 110.584 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.39 65.74 3.77 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.447 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -150.18 151.93 33.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.693 0.282 . . . . 0.0 110.319 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -110.17 138.88 45.94 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.437 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.1 t -112.98 113.78 45.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -114.38 137.18 52.14 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -152.19 144.23 23.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.879 0.371 . . . . 0.0 111.013 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -146.1 150.54 36.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.206 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -136.01 126.69 27.21 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -122.93 125.97 46.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.175 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.9 t -128.04 122.71 58.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -111.96 136.61 51.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.066 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.61 121.53 45.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.705 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.15 128.98 55.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.963 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -76.02 -34.91 59.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.296 -175.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.608 ' HA ' ' O ' ' A' ' 28' ' ' LYS . 24.2 t70 -153.81 144.63 22.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.886 0.374 . . . . 0.0 110.791 176.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 m -135.21 44.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.855 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 175.09 -59.67 0.11 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 119.745 -1.217 . . . . 0.0 113.652 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.5 t -170.85 -46.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.885 0.374 . . . . 0.0 110.101 -174.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -158.96 63.68 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.384 0.612 . . . . 0.0 109.725 176.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.608 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 26.1 pttm -161.08 138.24 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.958 175.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.15 169.01 21.45 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.974 -176.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.7 131.01 19.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.087 0.47 . . . . 0.0 111.325 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.7 tt -125.32 132.37 71.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.614 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 tt -134.37 127.11 50.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.988 0.423 . . . . 0.0 110.967 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.2 135.62 8.72 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 tp -135.29 125.99 27.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.761 0.315 . . . . 0.0 110.267 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.6 ttt -121.1 132.74 55.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.287 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -123.12 131.39 73.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.997 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.47 130.78 5.96 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.39 155.26 25.11 Favored Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.063 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.62 129.27 75.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -105.21 110.18 30.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.849 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.446 ' O ' ' HA2' ' B' ' 29' ' ' GLY . 60.6 mt -101.65 109.14 25.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.087 -178.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.851 -176.372 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.744 0.307 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.12 41.62 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.033 0.444 . . . . 0.0 110.198 177.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -61.81 -37.03 82.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.566 -176.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -78.87 -40.11 33.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.932 0.396 . . . . 0.0 110.592 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -82.87 62.88 6.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.09 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -104.15 135.2 46.08 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.503 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -150.82 149.06 29.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 57.6 m 59.99 31.02 20.47 Favored 'General case' 0 C--O 1.233 0.185 0 O-C-N 123.64 0.587 . . . . 0.0 111.272 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.91 -9.36 45.94 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.024 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 63.27 27.75 15.56 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.324 0.583 . . . . 0.0 110.337 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -77.25 -60.02 2.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.648 -177.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -90.31 143.26 11.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.868 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -107.63 0.34 22.45 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.394 0.616 . . . . 0.0 109.629 176.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -118.62 130.55 55.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.304 174.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -122.05 146.41 47.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.419 0.628 . . . . 0.0 111.753 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -143.86 -36.16 0.35 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.6 177.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.63 -42.36 92.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.351 -178.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.03 -22.06 27.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.292 . . . . 0.0 111.534 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -85.99 -22.25 27.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.178 0.513 . . . . 0.0 110.43 176.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -87.9 -42.21 12.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.909 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.42 141.66 28.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.519 -176.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 60.3 41.63 16.13 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.821 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.09 -46.15 90.37 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.484 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 49.6 t -72.81 -36.76 53.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.557 177.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.53 -63.23 3.93 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.557 176.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 24.5 t 60.6 33.18 20.43 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.307 0.575 . . . . 0.0 110.178 -177.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -93.42 -57.91 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.055 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -121.52 163.93 18.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.99 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 41' ' ' ILE . . . 141.06 115.54 1.2 Allowed Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.442 -178.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.89 127.48 35.64 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 64.1 mt -117.56 112.88 40.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.849 0.357 . . . . 0.0 110.736 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -111.78 154.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.13 131.63 3.77 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.229 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 75.9 mt -107.57 126.17 52.21 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 61.1 mtm -113.23 121.57 44.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.483 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 57.8 t -132.71 126.87 55.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.097 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.29 167.96 29.02 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.769 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.45 142.23 9.16 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.189 -0.529 . . . . 0.0 111.995 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.64 131.19 73.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 82.6 t -125.43 113.82 36.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 176.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 65.0 mt -111.8 109.47 28.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.04 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.473 -0.775 . . . . 0.0 109.792 -177.529 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 120.648 0.261 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.09 -33.04 26.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.125 0.488 . . . . 0.0 110.135 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -114.12 145.75 41.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.635 176.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -129.79 90.29 2.95 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 171.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -69.75 -20.7 63.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.36 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -96.34 57.11 1.65 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.494 174.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -61.5 -29.93 70.29 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.617 -175.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 19.0 m -90.84 9.51 29.97 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.071 0.462 . . . . 0.0 110.74 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.58 65.99 3.7 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.463 -178.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -150.35 151.97 33.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.696 0.284 . . . . 0.0 110.252 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -110.41 138.64 46.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.454 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.55 113.75 45.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -114.16 137.66 51.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.941 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -153.0 143.61 22.71 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.671 0.272 . . . . 0.0 110.891 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -145.95 150.5 36.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.059 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -135.97 126.59 27.11 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -122.81 125.85 46.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.169 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -127.9 122.62 59.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -111.9 136.55 51.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.115 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -112.62 121.44 44.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.682 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.11 129.09 55.33 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.001 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -76.4 -34.6 58.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.254 -175.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.62 ' HA ' ' O ' ' C' ' 28' ' ' LYS . 24.5 t70 -154.1 144.53 22.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.808 176.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 m -135.11 44.47 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.816 177.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 175.31 -60.39 0.11 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 119.875 -1.155 . . . . 0.0 113.682 177.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 31.8 t -170.21 -46.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.126 0.489 . . . . 0.0 110.039 -174.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -158.7 63.2 0.42 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.84 177.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.62 ' O ' ' HA ' ' C' ' 23' ' ' ASP . 26.1 pttm -160.8 138.26 9.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.964 175.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.79 168.92 21.76 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.03 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.66 131.2 19.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.075 0.464 . . . . 0.0 111.276 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 9.5 tt -125.69 132.05 71.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.661 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 tt -134.22 126.95 50.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.167 0.508 . . . . 0.0 111.037 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.25 135.71 8.75 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.619 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 58.9 tp -135.23 125.89 27.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.623 0.249 . . . . 0.0 110.345 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 26.7 ttt -121.01 132.96 55.22 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.289 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -123.39 131.34 73.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.04 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.41 130.61 5.92 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.23 155.25 25.03 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.977 -176.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.37 129.39 75.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.49 109.86 29.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.83 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.441 ' O ' ' HA2' ' D' ' 29' ' ' GLY . 59.7 mt -101.31 109.53 25.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.099 -179.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.331 -0.842 . . . . 0.0 111.022 -176.247 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.801 0.334 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.53 41.87 3.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.212 0.53 . . . . 0.0 110.097 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -61.96 -37.03 83.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.569 -176.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -78.95 -40.3 32.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.823 0.344 . . . . 0.0 110.493 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -82.6 63.1 6.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.955 0.407 . . . . 0.0 111.032 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -104.4 134.78 47.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.459 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -150.43 149.01 29.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.568 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 54.5 m 60.09 31.08 20.44 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 123.602 0.563 . . . . 0.0 111.183 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.13 -9.0 46.22 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.08 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 62.94 27.81 16.08 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.41 0.624 . . . . 0.0 110.487 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -77.51 -59.53 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.631 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -90.68 143.58 10.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.82 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -108.01 0.39 21.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.333 0.587 . . . . 0.0 109.663 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -118.54 130.72 56.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.286 174.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -122.41 146.41 47.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.193 0.521 . . . . 0.0 111.641 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -143.9 -36.22 0.35 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.531 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.65 -42.29 92.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.499 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.03 -22.1 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.745 0.307 . . . . 0.0 111.577 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -85.84 -22.52 27.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.117 0.484 . . . . 0.0 110.354 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -87.81 -42.13 12.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.991 -178.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.51 142.28 27.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.495 -176.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 59.6 42.01 17.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.796 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.23 -46.43 88.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.365 176.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 50.2 t -72.52 -36.67 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.425 0.631 . . . . 0.0 109.655 177.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.28 -63.19 4.01 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.553 177.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 24.3 t 60.6 32.93 20.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.391 0.615 . . . . 0.0 110.176 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -92.95 -58.27 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.07 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -120.95 164.34 16.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.121 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' C' ' 41' ' ' ILE . . . 140.82 115.32 1.19 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.524 -178.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.77 127.6 35.61 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 63.4 mt -117.53 112.67 39.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.945 0.402 . . . . 0.0 110.83 -175.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -111.62 155.02 13.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.28 131.46 3.69 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.243 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 76.6 mt -107.51 126.35 52.42 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.9 mtm -113.39 121.53 44.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.478 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.59 126.69 55.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.11 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.93 167.75 28.82 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.882 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.13 142.53 9.47 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.942 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 26.1 t -123.94 131.23 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 81.4 t -125.4 113.88 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.694 0.283 . . . . 0.0 110.278 176.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 64.6 mt -111.64 109.58 29.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.094 177.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.669 -177.572 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.02 104.86 17.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.143 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -94.8 142.59 27.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.335 -177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -133.82 13.04 4.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.22 -175.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -78.58 43.13 0.46 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.237 0.542 . . . . 0.0 111.475 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -62.58 -40.77 97.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.3 0.571 . . . . 0.0 109.839 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -116.87 155.48 28.96 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.308 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.3 m -150.65 104.58 3.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.73 0.3 . . . . 0.0 110.247 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.69 108.7 1.81 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.465 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.433 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 44.1 p90 -140.09 152.51 46.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.097 0.475 . . . . 0.0 111.116 -177.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -138.93 144.94 39.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.715 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.8 m -107.25 134.46 48.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.308 0.575 . . . . 0.0 110.935 -176.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -130.31 145.78 51.82 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.454 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -154.93 148.61 25.42 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.97 0.414 . . . . 0.0 111.113 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -133.2 134.04 43.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.398 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -139.87 137.13 34.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.864 0.364 . . . . 0.0 110.957 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.7 mt -137.28 121.42 17.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.976 177.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -112.81 116.82 53.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -119.46 133.61 55.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.249 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -133.75 128.83 35.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.918 0.389 . . . . 0.0 110.237 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.42 129.84 41.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.34 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -110.85 155.92 21.89 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 57.93 55.94 5.02 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.268 0.355 . . . . 0.0 111.092 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 28' ' ' LYS . 29.0 m -78.75 52.65 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-O 121.302 0.573 . . . . 0.0 112.147 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.3 8.95 82.79 Favored Glycine 0 CA--C 1.509 -0.334 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 177.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.8 p -169.25 176.52 5.16 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -77.99 57.39 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.252 0.549 . . . . 0.0 109.722 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.596 ' O ' HG22 ' A' ' 24' ' ' VAL . 49.1 mtpt -141.02 139.28 34.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.027 -176.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.27 148.94 17.53 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.5 177.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.53 130.43 47.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.934 0.397 . . . . 0.0 111.166 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.1 tt -122.57 130.36 74.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.235 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.4 mt -122.53 121.61 64.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.502 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.87 128.18 7.78 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 176.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.9 tp -137.01 125.02 22.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.793 0.297 . . . . 0.0 110.476 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.6 ptp -143.98 141.18 30.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.721 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.08 136.36 33.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.506 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.58 135.65 10.64 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.817 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.74 141.33 12.67 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.509 -0.636 . . . . 0.0 111.509 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -129.01 131.72 67.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 117.049 0.424 . . . . 0.0 110.957 -176.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 59.9 t -91.96 110.8 23.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 174.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.5 mt -111.83 117.21 54.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.689 0.28 . . . . 0.0 111.523 -174.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.673 -0.679 . . . . 0.0 110.4 175.796 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.4 ' CG ' ' H ' ' B' ' 2' ' ' ALA . 1.9 p-10 . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 119.896 -0.097 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.4 ' H ' ' CG ' ' B' ' 1' ' ' ASP . . . 56.39 41.71 28.59 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.136 0.493 . . . . 0.0 111.092 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -73.92 98.69 3.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.9 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -86.02 74.46 10.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.353 0.597 . . . . 0.0 109.411 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -65.23 140.99 58.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.867 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -96.3 75.91 2.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.974 -176.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -74.62 99.67 3.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.155 -177.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 30.6 m -96.7 -18.49 19.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.72 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.74 73.37 2.63 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.306 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -71.09 101.89 2.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.815 0.341 . . . . 0.0 110.483 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -83.23 87.12 6.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.161 0.505 . . . . 0.0 110.093 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -92.53 -46.47 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.272 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -130.39 150.5 51.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.363 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -101.98 14.65 31.36 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -76.67 71.24 3.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.275 -176.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -99.14 -3.43 34.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.45 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.6 mt -74.01 -33.48 63.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.383 -177.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.17 -34.65 70.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.108 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -70.96 -16.99 62.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.154 0.502 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -88.17 -17.78 30.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.43 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.99 61.09 1.12 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.959 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -105.75 22.02 16.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.645 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.15 106.13 0.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.981 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -96.38 -29.69 3.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.07 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.73 -125.03 3.03 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.144 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.6 m -155.6 129.02 8.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.886 0.374 . . . . 0.0 110.699 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -80.05 131.99 35.89 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.881 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -79.96 131.53 35.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.022 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.6 95.19 0.46 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 121.058 -0.592 . . . . 0.0 111.658 177.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.0 134.24 33.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.872 0.368 . . . . 0.0 110.779 -177.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.518 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 38.0 mm -119.69 112.34 36.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.828 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -116.36 155.02 17.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.89 138.02 5.93 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.841 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.02 125.95 34.65 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 51.0 ttm -115.81 132.81 56.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.006 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.6 t -125.09 127.12 72.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.596 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.59 146.35 18.3 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.948 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.2 139.77 7.91 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.264 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -129.57 130.06 66.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 47.6 t -125.96 117.45 48.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.506 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 54.8 mt -116.64 123.11 71.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.959 177.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.778 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.942 -179.589 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.59 105.2 17.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.126 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -94.99 142.52 27.38 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.367 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -133.63 12.88 4.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.298 -175.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -78.47 43.64 0.48 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.145 0.498 . . . . 0.0 111.443 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -63.09 -40.81 98.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.286 0.565 . . . . 0.0 109.753 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -116.87 155.4 29.1 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.353 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 25.5 m -150.52 104.33 3.2 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.746 0.308 . . . . 0.0 110.269 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.67 108.24 1.74 Allowed Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.484 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' C' ' 40' ' ' VAL . 43.7 p90 -139.7 152.64 46.84 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.981 0.42 . . . . 0.0 111.128 -177.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -138.89 144.99 39.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.822 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 23.5 m -107.26 134.21 49.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.315 0.578 . . . . 0.0 111.009 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -130.03 146.71 51.72 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -155.7 148.52 24.23 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.802 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -133.5 134.06 42.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.529 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -139.69 136.92 34.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.807 0.337 . . . . 0.0 110.938 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 95.8 mt -137.16 121.18 17.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.018 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 60.7 t -112.66 117.02 54.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -119.6 133.62 55.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.239 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -133.75 128.8 35.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.107 0.479 . . . . 0.0 110.313 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.37 129.67 41.66 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.382 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -110.68 155.72 22.04 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 58.13 56.32 4.64 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.455 0.472 . . . . 0.0 110.997 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.588 HG22 ' O ' ' C' ' 28' ' ' LYS . 30.2 m -79.06 52.59 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.382 0.611 . . . . 0.0 112.109 -176.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.12 9.38 82.35 Favored Glycine 0 CA--C 1.509 -0.3 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 5.6 p -169.49 176.13 5.17 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -176.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -77.83 57.41 1.69 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.317 0.58 . . . . 0.0 109.588 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.588 ' O ' HG22 ' C' ' 24' ' ' VAL . 49.2 mtpt -140.91 139.32 34.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.96 -176.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.37 148.47 17.53 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.354 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.0 130.65 48.67 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.921 0.391 . . . . 0.0 111.138 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 12.2 tt -122.73 130.15 74.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.121 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 73.5 mt -122.43 121.85 64.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.422 -177.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 127.96 7.63 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 61.9 tp -136.81 125.08 23.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.737 0.303 . . . . 0.0 110.439 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 23.5 ptp -143.92 141.15 30.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.753 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 7.7 p -141.22 136.46 33.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.377 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.76 135.8 10.66 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.795 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.95 141.47 12.81 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 47.7 t -129.09 131.66 67.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' C' ' 10' ' ' TYR . 60.3 t -91.94 110.93 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 174.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 60.6 mt -111.69 117.75 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.475 0.179 . . . . 0.0 111.376 -174.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.692 -0.671 . . . . 0.0 110.512 175.621 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 119.825 -0.131 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.56 41.77 28.13 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.099 0.476 . . . . 0.0 111.094 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -74.46 98.84 3.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.858 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -86.0 74.95 10.03 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -65.75 141.32 58.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.771 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -96.66 75.69 2.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.787 -176.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -74.33 99.58 3.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.165 -177.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 24.9 m -96.29 -18.64 19.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.224 0.535 . . . . 0.0 110.703 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.94 73.31 2.65 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.316 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -70.89 101.87 2.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.704 0.287 . . . . 0.0 110.443 177.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -83.19 86.58 7.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.286 0.565 . . . . 0.0 110.224 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 42.6 t -91.93 -46.5 14.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.298 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -130.33 150.5 51.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.312 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -101.7 14.52 31.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.18 0.514 . . . . 0.0 109.616 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -76.69 71.44 3.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.253 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -99.47 -2.93 34.77 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.591 177.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 79.0 mt -74.41 -33.41 62.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.426 -177.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.15 -34.82 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.095 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -70.78 -16.87 62.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.093 0.473 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -88.13 -18.01 29.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.338 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.86 61.08 1.13 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.938 0.399 . . . . 0.0 111.059 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -105.98 22.23 15.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.596 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.03 106.45 0.71 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.953 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 59.0 t -97.07 -29.03 3.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.285 0.565 . . . . 0.0 110.136 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.53 -124.9 3.26 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.973 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 52.4 m -155.72 129.13 8.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.781 0.324 . . . . 0.0 110.638 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -80.24 132.26 35.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.769 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -80.38 131.64 35.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.814 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.71 95.26 0.46 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.535 176.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.77 134.4 33.94 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.699 0.285 . . . . 0.0 110.654 -176.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.506 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 38.3 mm -119.94 112.26 36.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.868 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -116.3 155.21 17.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.758 0.313 . . . . 0.0 111.05 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.13 138.01 5.89 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.112 -0.566 . . . . 0.0 111.842 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.15 126.12 34.83 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 50.6 ttm -115.95 132.94 56.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 46.9 t -125.31 126.88 71.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.672 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.39 146.46 18.37 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.725 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.37 139.46 7.66 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.208 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -129.34 130.18 67.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -125.9 117.43 48.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.518 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 54.7 mt -116.59 123.28 71.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.011 177.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.016 -179.338 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.17 134.01 54.2 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.262 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -80.36 99.16 7.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.974 0.416 . . . . 0.0 110.642 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -80.31 62.91 4.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.534 0.683 . . . . 0.0 109.611 177.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.488 ' HB3' ' OD1' ' A' ' 7' ' ' ASP . 65.1 mtp180 -104.7 136.59 43.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.516 -174.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -115.97 -9.76 11.71 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.682 0.754 . . . . 0.0 109.557 169.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.488 ' OD1' ' HB3' ' A' ' 5' ' ' ARG . 0.9 OUTLIER 55.21 51.34 13.37 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 113.853 -1.521 . . . . 0.0 112.587 172.696 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.6 m 62.84 46.81 4.83 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.67 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.22 71.34 2.46 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.589 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -148.19 152.54 37.42 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -135.07 134.62 40.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.98 -178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 p -94.88 136.89 24.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.279 0.561 . . . . 0.0 111.02 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -125.03 152.38 44.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.181 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -144.95 149.05 34.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.83 0.348 . . . . 0.0 110.732 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -143.09 132.08 22.94 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -132.17 138.95 48.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.901 0.382 . . . . 0.0 110.456 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.8 mt -134.31 128.16 33.21 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.67 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.8 m -122.11 132.0 71.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.968 0.413 . . . . 0.0 110.918 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.465 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 62.4 m-85 -123.55 131.07 53.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.854 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -124.0 111.34 15.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.132 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.5 129.29 54.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.866 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -129.05 -32.9 2.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.444 0.64 . . . . 0.0 110.456 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -83.91 4.59 28.85 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.322 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.6 m -87.42 0.87 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.656 -178.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.0 171.93 34.5 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.975 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -73.27 87.02 1.46 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.8 t30 57.47 55.99 5.32 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.012 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -123.83 144.69 49.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.402 -177.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.96 112.89 3.18 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.342 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.32 128.97 56.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.886 0.374 . . . . 0.0 110.134 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 59.8 mt -129.98 120.36 49.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.144 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' HB ' ' HB2' ' A' ' 19' ' ' PHE . 70.7 mt -117.8 123.31 71.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.197 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.18 127.23 6.56 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.643 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.4 mt -124.39 126.04 45.3 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtt -132.19 117.95 18.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.997 0.427 . . . . 0.0 110.827 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -116.36 131.77 67.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.475 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.81 130.8 7.56 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.29 164.53 26.22 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.369 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.6 t -138.66 127.27 29.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.751 0.31 . . . . 0.0 110.346 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 p -97.17 113.2 30.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.304 0.573 . . . . 0.0 109.822 174.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.0 mt -105.12 118.05 51.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.02 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.545 -178.843 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.31 37.86 3.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -82.21 61.65 5.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 109.996 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -82.67 109.94 17.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.178 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -132.65 147.5 52.34 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.314 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -89.5 74.77 7.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.034 0.445 . . . . 0.0 109.906 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.76 -32.78 46.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.827 -178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.3 m -137.38 144.32 42.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.185 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.43 139.69 4.44 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.222 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 57.94 51.21 9.25 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.146 0.498 . . . . 0.0 110.006 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -64.63 160.0 20.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.387 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 t 65.83 50.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 121.971 0.891 . . . . 0.0 109.701 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -112.44 96.29 5.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.862 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -152.31 138.38 18.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.181 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -87.48 136.75 32.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -112.22 77.03 1.01 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.511 175.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.99 -38.52 86.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 -175.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 p -63.54 -29.98 48.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.99 0.424 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -74.38 -33.87 63.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.531 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -87.84 -11.24 48.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.411 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.24 -54.43 4.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 53.42 59.39 4.4 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.373 0.421 . . . . 0.0 111.144 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -76.3 52.27 0.75 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.301 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 50.6 t -119.27 -75.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.806 0.336 . . . . 0.0 110.184 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.1 48.39 3.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.652 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -88.57 26.51 1.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.973 0.416 . . . . 0.0 111.12 -176.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -148.99 88.14 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.098 0.475 . . . . 0.0 110.047 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -112.43 14.1 20.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.01 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.25 162.51 29.49 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.637 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.15 139.76 21.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.897 0.38 . . . . 0.0 110.777 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 66.7 mt -120.36 113.03 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -117.07 155.75 18.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.929 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.37 130.45 3.08 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.005 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 62.7 tp -107.11 127.38 53.44 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 63.2 mtt -111.16 122.05 46.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.54 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 64.5 t -127.38 126.25 67.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 175.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLY . . . . . 0.449 ' O ' HD12 ' D' ' 34' ' ' LEU . . . -141.34 154.33 24.54 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.092 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.65 139.46 9.71 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.858 -0.686 . . . . 0.0 111.833 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 60.1 t -123.65 129.57 74.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.49 113.74 34.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.696 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 59.5 mt -116.85 109.16 26.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.71 0.291 . . . . 0.0 110.239 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.785 178.621 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.2 134.19 54.17 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.294 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -80.52 98.83 7.76 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.957 0.408 . . . . 0.0 110.624 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -79.76 63.5 4.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.515 0.674 . . . . 0.0 109.628 176.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' ARG . . . . . 0.494 ' HB3' ' OD1' ' C' ' 7' ' ' ASP . 64.9 mtp180 -105.25 136.76 44.18 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.651 -174.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -116.44 -9.57 11.44 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.436 0.636 . . . . 0.0 109.442 169.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ASP . . . . . 0.494 ' OD1' ' HB3' ' C' ' 5' ' ' ARG . 0.8 OUTLIER 55.42 50.42 14.8 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 114.047 -1.433 . . . . 0.0 112.682 172.406 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 46.2 m 64.13 46.8 3.52 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.51 71.46 2.51 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.458 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -148.48 152.76 37.45 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 176.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -135.45 135.07 40.24 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.875 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 12.1 p -95.49 136.83 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.293 0.568 . . . . 0.0 110.951 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -125.06 153.11 43.4 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.059 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -146.0 148.67 32.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.936 0.398 . . . . 0.0 110.7 177.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -142.84 132.12 23.37 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -132.11 138.66 48.18 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.76 0.314 . . . . 0.0 110.484 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -133.93 128.31 34.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.774 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 15.8 m -122.13 132.03 71.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.977 0.418 . . . . 0.0 110.955 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.477 ' HB2' ' HB ' ' C' ' 32' ' ' ILE . 61.5 m-85 -123.62 130.81 53.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.945 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -123.78 110.96 15.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.218 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.31 129.31 54.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.855 0.359 . . . . 0.0 110.783 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -129.22 -32.86 1.98 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.455 0.645 . . . . 0.0 110.384 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -84.01 4.58 29.31 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.354 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 28.9 m -87.21 0.75 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.596 -178.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.47 172.66 34.25 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.003 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -73.93 87.24 1.8 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 67.0 t30 57.1 55.95 5.62 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.171 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -123.77 144.52 49.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.294 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.63 113.17 3.29 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.34 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.39 128.83 56.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.927 0.394 . . . . 0.0 110.175 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 60.0 mt -130.01 120.3 49.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.168 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.477 ' HB ' ' HB2' ' C' ' 19' ' ' PHE . 70.0 mt -117.75 123.11 71.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.223 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.23 126.97 6.45 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.665 -0.778 . . . . 0.0 111.643 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 69.1 mt -124.14 126.57 46.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtt -133.04 117.49 17.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.014 0.435 . . . . 0.0 110.888 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 41.6 t -115.96 131.92 67.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.378 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.81 130.46 7.43 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 175.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.99 164.57 26.11 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.31 -0.947 . . . . 0.0 112.414 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 62.4 t -138.52 127.49 31.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.684 0.278 . . . . 0.0 110.307 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 p -97.28 112.99 30.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.291 0.567 . . . . 0.0 109.895 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 52.7 mt -105.06 117.61 51.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.109 -178.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.534 -178.596 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.87 37.48 4.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.152 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -81.99 61.59 5.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.602 0.715 . . . . 0.0 110.058 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -82.43 110.18 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.102 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -132.83 147.32 52.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.322 -177.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -89.15 75.22 7.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.154 0.502 . . . . 0.0 109.868 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -79.17 -32.37 44.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.833 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 22.0 m -137.85 144.5 41.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.332 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.14 139.48 4.43 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.182 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 58.39 50.84 8.9 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.141 0.496 . . . . 0.0 109.952 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -64.31 160.11 19.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.356 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 t 65.68 49.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 122.209 1.004 . . . . 0.0 109.717 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -111.77 96.05 5.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.799 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -151.88 138.35 18.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.363 -177.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -87.22 136.97 32.73 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -112.37 76.86 1.0 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.572 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.63 -38.91 86.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.077 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.26 -30.04 48.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.012 0.434 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -74.16 -34.07 63.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.595 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -87.8 -11.09 49.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.309 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.11 -55.02 4.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 53.88 59.39 4.31 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.46 0.475 . . . . 0.0 111.184 -178.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -76.31 52.56 0.77 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.312 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 50.4 t -119.33 -75.26 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.827 0.346 . . . . 0.0 110.141 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.47 48.95 3.15 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.807 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -88.89 26.41 1.55 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.023 0.44 . . . . 0.0 111.014 -176.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -148.77 87.75 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.226 0.536 . . . . 0.0 110.1 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -111.98 14.36 20.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.192 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.18 162.38 29.54 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.592 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.3 140.22 21.91 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.736 0.303 . . . . 0.0 110.731 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 67.4 mt -120.68 112.76 37.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 176.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -116.89 155.82 18.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.988 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.06 130.64 3.16 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.11 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.449 HD12 ' O ' ' B' ' 37' ' ' GLY . 63.1 tp -107.21 127.58 53.65 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 63.3 mtt -111.16 122.24 47.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.485 -177.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 66.3 t -127.93 125.85 65.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.97 154.72 24.6 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.229 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.9 139.65 9.8 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.973 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 58.0 t -123.65 129.42 74.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 62.1 t -126.23 113.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.792 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 59.7 mt -116.65 109.14 26.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.703 0.287 . . . . 0.0 110.288 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.238 -0.886 . . . . 0.0 109.915 178.756 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.91 49.53 7.72 Favored 'General case' 0 C--N 1.332 -0.164 0 O-C-N 123.828 0.705 . . . . 0.0 111.024 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -78.49 127.34 32.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.666 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -125.49 85.2 2.37 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -87.59 29.07 0.91 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.539 -175.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -119.87 33.53 5.58 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -83.68 -53.17 5.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.89 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -125.53 111.14 14.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.256 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.67 92.11 1.78 Allowed Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.968 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -134.61 153.3 52.03 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -105.62 149.02 26.69 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 m -116.59 133.88 61.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.222 0.534 . . . . 0.0 111.061 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -116.55 134.59 54.66 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.498 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 50.2 t60 -164.62 136.46 4.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -157.03 137.83 13.32 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.975 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -126.04 126.94 45.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -134.15 136.85 44.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.769 0.319 . . . . 0.0 111.174 -174.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.0 t -131.21 119.27 43.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.573 176.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -113.23 141.54 46.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.043 0.449 . . . . 0.0 110.9 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -94.69 127.67 40.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.583 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.19 163.33 29.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.904 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 68.4 -76.86 0.05 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.524 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.501 ' OD2' ' HG3' ' A' ' 28' ' ' LYS . 16.5 t70 -139.31 -76.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.425 -173.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.639 ' H ' ' HA3' ' A' ' 29' ' ' GLY . 23.6 t 64.61 61.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.892 0.853 . . . . 0.0 110.598 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.86 -116.83 0.77 Allowed Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.2 172.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.7 m -89.69 -42.66 11.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.87 0.367 . . . . 0.0 110.789 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -151.38 36.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.633 -176.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.501 ' HG3' ' OD2' ' A' ' 23' ' ' ASP . 22.5 pttp -150.05 152.74 35.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.791 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.639 ' HA3' ' H ' ' A' ' 24' ' ' VAL . . . 119.32 -161.06 14.08 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.525 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.55 129.35 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.972 0.415 . . . . 0.0 110.559 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -124.11 123.9 67.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.893 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.447 HG22 HG13 ' B' ' 39' ' ' VAL . 32.8 pt -112.32 122.51 66.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.047 0.451 . . . . 0.0 110.453 177.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.41 129.11 7.02 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.869 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -133.95 139.56 46.19 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ptm -141.65 136.87 31.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.855 0.36 . . . . 0.0 110.703 176.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 14' ' ' HIS . 60.8 t -130.36 139.68 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.416 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.08 134.47 6.17 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.81 164.67 31.33 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.47 -0.871 . . . . 0.0 113.084 -177.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.36 130.47 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 122.615 0.366 . . . . 0.0 110.242 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.17 106.55 20.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.067 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 56.2 mt -100.19 105.48 17.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.526 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.466 -0.778 . . . . 0.0 110.489 -179.396 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.1 t70 . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 120.739 0.304 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.29 63.97 4.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.447 -177.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.5 ' OE1' ' HD3' ' B' ' 5' ' ' ARG . 42.3 tt0 -100.47 125.02 46.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.78 177.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -126.24 44.9 2.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.118 0.485 . . . . 0.0 110.066 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.5 ' HD3' ' OE1' ' B' ' 3' ' ' GLU . 60.4 mtp180 -82.33 54.72 2.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.882 -177.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -108.0 94.33 5.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.54 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -77.37 155.62 31.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.365 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 46.6 m -151.11 146.64 26.29 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.403 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.08 -88.12 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.189 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 61.51 40.45 13.71 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.273 0.558 . . . . 0.0 110.803 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -82.77 58.04 4.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.191 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.3 m -92.24 9.06 4.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.234 -177.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -90.7 137.27 32.49 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -125.31 66.25 1.14 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.117 0.484 . . . . 0.0 110.098 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -64.76 -41.73 95.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.274 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -68.88 -33.34 73.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.909 0.385 . . . . 0.0 110.441 -178.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.67 -30.97 71.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.983 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.1 -29.53 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.91 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -79.01 -19.01 52.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -87.52 -44.16 11.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.931 175.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -160.64 132.64 5.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.788 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -122.19 143.24 49.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.065 0.459 . . . . 0.0 111.409 -176.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -141.23 141.1 34.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.045 173.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.7 t -131.49 89.62 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.979 0.419 . . . . 0.0 110.116 -178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.58 -59.7 0.71 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.918 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 34.5 m -90.46 76.49 6.64 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.019 0.437 . . . . 0.0 110.33 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -95.08 142.41 27.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.279 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -154.51 149.79 27.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.179 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.26 104.56 2.32 Favored Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.72 125.84 19.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.056 0.455 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 65.8 mt -127.98 112.69 28.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.741 176.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.19 131.32 72.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.38 131.25 4.95 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.815 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.5 mt -115.38 143.93 44.55 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ptm -135.83 139.02 43.12 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.088 0.47 . . . . 0.0 110.889 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 11.9 p -149.15 147.16 16.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.899 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.77 176.7 41.18 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.273 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.83 147.0 16.3 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.159 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.447 HG13 HG22 ' A' ' 32' ' ' ILE . 58.3 t -122.86 129.85 74.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -125.54 115.77 44.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.132 0.492 . . . . 0.0 110.642 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 52.9 mt -117.68 123.0 71.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.477 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.322 -0.847 . . . . 0.0 109.907 176.855 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.49 50.38 7.56 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.69 0.619 . . . . 0.0 111.211 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -79.38 127.28 31.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.62 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -125.63 84.67 2.3 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -87.25 28.84 0.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.578 -175.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -119.68 33.8 5.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 175.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -84.11 -52.31 6.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.93 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 23.3 t -126.31 110.84 13.84 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.371 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.55 92.02 1.77 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.088 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -134.7 153.02 52.18 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -105.41 149.15 26.38 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 m -116.51 134.08 61.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.186 0.517 . . . . 0.0 111.075 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -116.57 134.68 54.55 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' HIS . . . . . 0.486 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 50.1 t60 -164.57 136.49 4.53 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -157.01 137.84 13.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.036 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -126.1 126.68 44.58 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -133.77 137.2 45.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.774 0.321 . . . . 0.0 111.255 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 91.6 t -131.64 118.84 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.738 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -112.91 141.7 46.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.145 0.498 . . . . 0.0 110.901 -177.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -94.93 127.67 41.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.509 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.23 162.69 31.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.932 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 69.06 -77.15 0.05 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.176 0.591 . . . . 0.0 111.413 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.508 ' OD2' ' HG3' ' C' ' 28' ' ' LYS . 16.3 t70 -138.87 -75.7 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.588 -173.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.65 ' H ' ' HA3' ' C' ' 29' ' ' GLY . 23.5 t 64.29 61.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.723 0.773 . . . . 0.0 110.552 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.94 -116.79 0.78 Allowed Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.193 172.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 22.0 m -89.73 -42.8 11.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.805 0.336 . . . . 0.0 110.726 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -151.01 36.3 0.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.725 -176.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.508 ' HG3' ' OD2' ' C' ' 23' ' ' ASP . 22.5 pttp -149.9 153.0 35.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.737 -0.211 . . . . 0.0 110.701 -179.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.65 ' HA3' ' H ' ' C' ' 24' ' ' VAL . . . 119.15 -160.89 14.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.443 177.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.58 129.37 51.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 110.456 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -124.13 123.74 67.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.459 HG22 HG13 ' D' ' 39' ' ' VAL . 32.3 pt -112.4 122.52 66.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.023 0.44 . . . . 0.0 110.428 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.39 129.55 7.19 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.798 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.4 HD23 ' HA3' ' D' ' 37' ' ' GLY . 70.7 mt -134.28 139.64 45.87 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -177.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ptm -141.66 137.03 31.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.487 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' C' ' 14' ' ' HIS . 60.1 t -130.46 139.54 51.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.344 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.7 135.0 6.51 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 177.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.52 164.44 31.59 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.232 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 57.4 t -125.88 130.56 72.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 122.519 0.328 . . . . 0.0 110.299 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 58.9 t -110.05 106.51 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.178 179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 55.6 mt -100.05 105.71 18.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.527 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.31 -179.545 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.72 0.295 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.5 64.13 4.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.025 0.441 . . . . 0.0 111.291 -177.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.51 ' OE1' ' HD3' ' D' ' 5' ' ' ARG . 42.2 tt0 -100.5 125.29 46.82 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.735 177.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -126.48 44.21 2.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.151 0.5 . . . . 0.0 110.131 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' ARG . . . . . 0.51 ' HD3' ' OE1' ' D' ' 3' ' ' GLU . 60.4 mtp180 -81.64 54.29 2.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.116 -177.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -107.77 94.29 5.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.564 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -77.26 156.08 31.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.481 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 42.3 m -151.83 145.95 25.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.521 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.26 -88.34 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.235 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 62.01 40.14 12.52 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.286 0.565 . . . . 0.0 110.776 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -82.42 57.58 3.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.296 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 34.2 m -92.12 9.26 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.265 -177.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -90.73 137.0 32.7 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -124.87 66.18 1.11 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.04 0.448 . . . . 0.0 110.343 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -64.09 -42.1 97.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.425 -177.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -68.79 -33.2 73.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.889 0.376 . . . . 0.0 110.414 -178.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 50.8 tp -62.89 -30.93 71.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.835 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.14 -29.94 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.747 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -78.5 -19.15 53.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -87.46 -43.5 12.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.002 0.429 . . . . 0.0 110.115 175.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.12 133.08 5.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.752 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -122.53 143.06 49.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.123 0.487 . . . . 0.0 111.411 -176.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -141.24 141.42 34.01 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 173.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 38.7 t -131.69 89.36 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.031 0.443 . . . . 0.0 110.19 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.3 -59.09 0.73 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.64 -0.79 . . . . 0.0 111.809 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 37.2 m -91.09 76.46 6.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.134 0.492 . . . . 0.0 110.291 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -94.94 142.43 27.48 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.376 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' D' ' 29' ' ' GLY . 79.1 tttt -154.71 149.54 26.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.291 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.407 ' N ' ' HG2' ' D' ' 28' ' ' LYS . . . 117.57 103.99 2.26 Favored Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 111.489 -0.645 . . . . 0.0 111.489 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.15 126.02 20.95 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.023 0.439 . . . . 0.0 110.821 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 65.9 mt -128.12 112.74 27.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.668 176.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.24 131.51 71.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.52 131.34 4.96 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.951 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -115.56 143.61 45.08 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ptm -135.58 139.15 43.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 11.9 p -149.19 146.92 16.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.944 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.4 ' HA3' HD23 ' C' ' 34' ' ' LEU . . . -165.69 177.04 41.06 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.377 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.08 146.95 16.16 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.207 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.459 HG13 HG22 ' C' ' 32' ' ' ILE . 58.5 t -122.91 129.88 74.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 m -125.66 115.64 43.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.073 0.463 . . . . 0.0 110.663 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 52.8 mt -117.73 123.19 71.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.497 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.973 176.861 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 120.607 0.241 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.04 26.53 4.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.46 ' CD ' ' HE ' ' A' ' 5' ' ' ARG . 9.9 tp10 -162.33 143.29 10.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.959 -177.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -166.52 113.72 0.85 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.097 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.46 ' HE ' ' CD ' ' A' ' 3' ' ' GLU . 80.7 mtt180 -134.17 112.51 11.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.866 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -93.86 -43.53 8.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -176.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -109.44 -171.39 1.83 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.98 -174.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.3 t 66.34 38.24 4.5 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.002 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.28 -54.12 0.27 Allowed Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.331 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -158.04 160.0 36.95 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.613 -0.345 . . . . 0.0 111.007 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -145.19 136.83 25.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.511 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.44 HG12 HG22 ' A' ' 39' ' ' VAL . 18.2 m -98.06 152.32 4.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -135.0 147.53 49.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.627 0.251 . . . . 0.0 110.608 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -154.96 141.26 18.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.547 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -154.95 154.58 32.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.102 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -141.77 140.66 33.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.251 179.459 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.6 mt -134.29 135.42 42.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.029 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -124.88 125.24 69.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.868 0.366 . . . . 0.0 110.613 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.483 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 68.6 m-85 -115.04 142.38 46.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.67 177.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -134.74 133.31 39.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.317 -175.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' HB1' ' OD1' ' A' ' 23' ' ' ASP . . . -137.73 133.89 34.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.314 -177.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -108.06 3.11 23.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.281 0.562 . . . . 0.0 110.303 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.407 ' OD1' ' HB1' ' A' ' 21' ' ' ALA . 9.0 p-10 -95.88 10.56 36.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.58 -174.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -85.53 68.33 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-O 122.4 1.095 . . . . 0.0 110.55 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.59 -164.0 12.23 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.634 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.7 m -71.68 -50.27 32.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.913 0.387 . . . . 0.0 110.204 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -151.06 78.96 1.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.05 0.452 . . . . 0.0 110.592 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -141.54 155.59 45.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.733 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.97 135.51 11.46 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.318 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.3 129.47 56.27 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.826 0.346 . . . . 0.0 110.621 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.7 mt -115.36 117.99 57.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.849 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.483 ' HB ' ' HB2' ' A' ' 19' ' ' PHE . 50.7 mt -113.01 115.04 48.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.106 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.8 128.14 7.88 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.27 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -121.23 127.14 51.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.692 0.282 . . . . 0.0 110.283 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 85.1 mtp -123.8 120.95 34.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.404 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -119.28 134.01 64.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.767 0.318 . . . . 0.0 110.693 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.91 137.63 6.18 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.22 171.29 38.07 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.116 -1.04 . . . . 0.0 112.835 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.44 HG22 HG12 ' A' ' 12' ' ' VAL . 47.1 t -127.31 128.3 70.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -178.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t -112.39 109.45 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.328 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.445 HD12 ' HB3' ' B' ' 30' ' ' ALA . 41.3 mt -101.92 128.03 54.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.954 177.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.179 -175.288 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.6 46.26 12.18 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.238 -175.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -62.59 132.24 51.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.851 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -106.87 -24.91 11.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.197 0.522 . . . . 0.0 109.778 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -72.93 109.28 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.369 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 33.0 m170 60.72 37.87 18.7 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.998 176.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -97.61 -65.79 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.035 0.445 . . . . 0.0 110.468 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 12.3 p -88.77 -67.68 0.82 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.116 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.0 -145.36 11.92 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.089 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -85.22 79.76 9.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.868 0.366 . . . . 0.0 110.467 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -86.22 138.46 31.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.077 0.465 . . . . 0.0 111.082 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.8 m -122.79 33.49 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.309 174.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -82.34 65.24 7.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.881 -174.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -95.0 75.5 3.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.37 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -139.01 -69.46 0.43 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.565 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -87.93 26.09 1.42 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.515 -172.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.92 -36.49 80.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.98 0.419 . . . . 0.0 110.11 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 23.0 m -74.56 -23.6 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.862 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -78.42 -20.25 51.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.341 0.591 . . . . 0.0 109.783 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -87.73 -12.03 46.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.061 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.8 68.36 7.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.718 -175.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -73.34 118.73 16.65 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.023 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -92.54 23.16 4.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.333 0.587 . . . . 0.0 110.275 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.83 157.01 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.283 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -126.15 -156.26 9.2 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.667 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -97.9 166.38 11.48 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -168.29 101.43 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 65.86 56.4 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.722 0.639 . . . . 0.0 109.956 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.43 -44.48 77.15 Favored Glycine 0 N--CA 1.451 -0.3 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.769 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.445 ' HB3' HD12 ' A' ' 41' ' ' ILE . . . -169.92 126.96 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.358 . . . . 0.0 110.744 176.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.549 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 48.3 mm -119.58 112.76 38.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.34 133.86 49.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.944 0.402 . . . . 0.0 110.386 -178.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.55 132.92 5.34 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.965 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -118.79 132.04 56.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.81 0.338 . . . . 0.0 110.285 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ttt -128.43 121.92 30.11 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 50.9 t -109.21 126.33 66.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.12 135.64 8.93 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.471 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.66 139.95 10.11 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.373 -0.918 . . . . 0.0 112.297 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 27.0 m -121.82 131.23 73.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.105 0.478 . . . . 0.0 110.699 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -124.72 113.6 36.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.642 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 70.6 mt -113.93 110.58 32.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.387 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.775 179.143 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.485 1.283 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.77 26.21 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.861 0.363 . . . . 0.0 110.923 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.454 ' CD ' ' HE ' ' C' ' 5' ' ' ARG . 9.9 tp10 -161.71 144.08 11.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.85 -178.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -166.94 113.79 0.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.24 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' ARG . . . . . 0.454 ' HE ' ' CD ' ' C' ' 3' ' ' GLU . 80.3 mtt180 -134.13 112.4 11.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.905 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -93.72 -44.0 8.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -176.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.06 -171.5 1.86 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.882 -174.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 24.5 t 66.67 38.45 3.97 Favored 'General case' 0 C--O 1.231 0.104 0 O-C-N 123.783 0.677 . . . . 0.0 109.812 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.68 -54.08 0.26 Allowed Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.298 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -157.41 160.88 38.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.952 0.405 . . . . 0.0 111.084 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -146.0 136.4 23.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.499 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.436 HG12 HG22 ' C' ' 39' ' ' VAL . 17.5 m -97.25 152.34 4.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.373 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -135.16 147.26 49.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.605 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -154.57 141.61 19.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.52 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -155.16 154.58 32.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.124 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' C' ' 16' ' ' LYS . 0.0 OUTLIER -141.76 140.37 33.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.483 179.456 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 91.1 mt -134.08 135.48 43.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.913 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -125.07 125.69 69.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.883 0.373 . . . . 0.0 110.422 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.478 ' HB2' ' HB ' ' C' ' 32' ' ' ILE . 68.9 m-85 -115.59 142.39 46.8 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 177.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -134.74 133.44 39.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.276 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.405 ' HB1' ' OD1' ' C' ' 23' ' ' ASP . . . -137.75 133.74 34.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.236 -177.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -107.72 2.94 24.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.329 0.585 . . . . 0.0 110.311 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.405 ' OD1' ' HB1' ' C' ' 21' ' ' ALA . 9.2 p-10 -95.89 10.81 35.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.565 -174.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -85.73 68.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 122.379 1.085 . . . . 0.0 110.655 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.82 -163.88 12.28 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.49 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 19.2 m -71.93 -49.93 33.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.828 0.347 . . . . 0.0 110.248 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -151.17 79.51 1.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.598 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -141.75 155.65 45.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.783 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.62 135.38 11.47 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.197 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.19 129.59 56.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.897 0.379 . . . . 0.0 110.649 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 47.1 mt -115.42 117.68 56.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.901 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.478 ' HB ' ' HB2' ' C' ' 19' ' ' PHE . 51.1 mt -112.85 115.13 48.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.044 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.91 128.24 7.92 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.372 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -121.45 126.79 50.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.683 0.278 . . . . 0.0 110.37 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 85.9 mtp -123.54 121.04 34.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.423 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -119.38 134.05 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.734 0.302 . . . . 0.0 110.642 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.74 137.49 6.12 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.15 171.29 38.01 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.803 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.436 HG22 HG12 ' C' ' 12' ' ' VAL . 46.9 t -127.18 128.51 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 88.7 t -112.63 109.51 28.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.266 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.449 HD12 ' HB3' ' D' ' 30' ' ' ALA . 41.1 mt -102.02 127.95 55.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.027 177.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.989 -175.335 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.63 46.59 11.66 Favored 'General case' 0 C--O 1.23 0.072 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.26 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -62.81 132.24 51.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.842 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -106.86 -24.67 11.98 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.261 0.553 . . . . 0.0 109.867 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -73.04 108.94 6.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.37 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 33.2 m170 61.14 37.58 17.53 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.935 176.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -97.36 -66.04 0.93 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.999 0.428 . . . . 0.0 110.484 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 12.3 p -88.66 -67.59 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.17 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.97 -145.45 12.08 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.057 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -85.11 79.48 9.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.866 0.365 . . . . 0.0 110.503 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -85.97 138.54 31.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.123 0.487 . . . . 0.0 110.994 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 25.1 m -122.95 33.22 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.278 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -82.04 66.08 7.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.67 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -95.75 75.67 3.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.45 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -139.5 -69.15 0.42 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.603 -177.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -88.16 25.68 1.56 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.561 -172.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 81.7 mt -67.45 -36.67 81.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.048 0.451 . . . . 0.0 110.045 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 m -74.23 -23.52 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.837 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -78.81 -20.09 50.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.291 0.567 . . . . 0.0 109.808 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -87.91 -11.97 46.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.065 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.74 68.52 7.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.665 -175.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -73.4 118.42 16.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.006 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -92.21 23.46 3.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.34 0.59 . . . . 0.0 110.313 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 34.7 m -68.08 157.01 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.195 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -125.82 -155.99 9.15 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.807 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 27.7 t -98.29 165.53 11.82 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -167.45 101.43 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.873 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 65.81 56.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.726 0.641 . . . . 0.0 109.955 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.2 -44.65 74.72 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.713 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.449 ' HB3' HD12 ' C' ' 41' ' ' ILE . . . -169.7 126.85 0.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.767 0.318 . . . . 0.0 110.848 176.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 mm -119.71 112.8 38.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.56 133.76 49.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.939 0.4 . . . . 0.0 110.376 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.52 133.16 5.46 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.754 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 89.5 mt -119.16 131.98 55.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.862 0.363 . . . . 0.0 110.175 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ttt -128.38 121.91 30.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 51.0 t -109.09 126.24 66.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.07 135.54 8.88 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.375 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.67 139.79 9.97 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.353 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -121.77 131.31 73.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.06 0.457 . . . . 0.0 110.596 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -124.8 113.54 36.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.768 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.549 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 70.3 mt -113.99 110.74 33.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.487 -0.768 . . . . 0.0 109.839 179.097 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.777 0.322 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.43 125.55 29.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.401 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 60.69 37.28 19.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.112 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -141.32 131.94 25.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.666 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -144.96 142.45 29.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.978 0.418 . . . . 0.0 110.806 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -154.51 -58.91 0.11 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.633 176.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -97.11 -43.78 7.25 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.318 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.3 p -84.05 146.11 28.12 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.665 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.56 -63.33 0.49 Allowed Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -162.43 152.48 16.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -113.42 145.23 41.48 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -124.8 113.89 38.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.16 0.505 . . . . 0.0 110.486 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -117.93 134.3 55.09 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -151.23 136.8 17.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.93 0.395 . . . . 0.0 110.851 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -138.63 172.99 12.06 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.71 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -146.75 157.72 43.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.909 0.385 . . . . 0.0 110.221 177.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.8 tp -139.57 132.4 29.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.863 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 p -134.22 124.74 46.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.014 0.435 . . . . 0.0 109.971 177.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -132.1 130.51 41.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.391 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -111.41 129.59 55.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.204 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.6 128.2 40.56 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -113.38 -12.86 12.94 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.361 0.601 . . . . 0.0 109.591 176.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -86.68 61.95 7.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.733 0.778 . . . . 0.0 109.202 176.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.0 m -96.07 -4.2 10.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.662 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.87 25.26 8.11 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -175.54 164.49 3.09 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -176.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -74.27 64.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.809 0.337 . . . . 0.0 110.586 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -133.51 143.83 49.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.153 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.64 122.49 6.64 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.685 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.47 129.27 56.09 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.003 0.43 . . . . 0.0 110.891 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.3 mt -112.93 115.44 49.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.176 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 32' ' ' ILE . 3.5 mp -102.85 115.07 44.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.36 135.42 10.93 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.105 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 tp -143.34 143.24 31.58 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ttt -145.25 122.88 11.79 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 175.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.1 t -124.51 136.36 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.922 0.392 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.51 133.9 6.82 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.41 138.41 10.48 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.456 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.8 t -113.76 122.26 67.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.4 t -109.01 109.5 28.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp -92.21 131.06 40.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.501 -0.761 . . . . 0.0 110.959 -177.933 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 110.738 -0.097 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.03 45.97 26.49 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.455 0.472 . . . . 0.0 111.222 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 68.13 65.83 0.35 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.755 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.09 117.46 4.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.816 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -67.2 108.58 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.177 0.513 . . . . 0.0 111.292 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -80.83 -20.81 41.6 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 169.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -69.69 100.33 1.47 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.482 169.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 12.4 t -166.55 -172.92 2.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.845 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.52 -40.15 1.35 Allowed Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -178.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -100.86 -36.2 9.15 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -83.23 58.63 4.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.657 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.6 m -135.99 166.1 27.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -151.41 97.83 2.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.324 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' HIS . . . . . 0.428 ' O ' ' HG3' ' B' ' 16' ' ' LYS . 36.8 m80 -119.21 -11.33 9.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.737 -178.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -72.53 112.93 9.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.002 0.43 . . . . 0.0 110.481 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 14' ' ' HIS . 41.5 mttp -121.46 -11.96 8.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.564 -177.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.7 tp -60.21 -28.68 68.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.487 -174.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 50.1 t -61.89 -37.56 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.106 0.479 . . . . 0.0 110.689 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -86.0 -14.23 45.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.527 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -87.27 -38.48 16.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.551 -173.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.05 148.41 36.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.296 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 62.76 52.25 2.81 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 123.878 0.736 . . . . 0.0 109.912 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -90.2 159.96 16.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.564 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.2 p -139.88 3.78 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.717 178.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.68 -27.47 0.02 OUTLIER Glycine 0 CA--C 1.522 0.531 0 C-N-CA 119.644 -1.265 . . . . 0.0 114.355 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 37.9 t -69.5 -20.28 63.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.373 0.587 . . . . 0.0 111.406 -174.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -60.17 -41.04 92.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.567 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -162.59 141.83 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.595 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.47 116.55 3.6 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.996 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.62 142.84 20.38 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.407 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 68.4 mt -124.77 120.98 60.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.8 0.334 . . . . 0.0 110.494 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.33 131.16 69.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.117 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.59 131.05 6.35 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.028 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.0 mt -107.57 135.73 48.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.817 0.341 . . . . 0.0 110.145 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 67.9 mtm -124.58 121.22 34.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.168 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -124.85 135.37 64.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.09 176.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.78 165.94 31.73 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.34 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.18 141.44 6.9 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.695 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.3 130.19 74.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -122.06 115.27 45.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.899 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.419 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 53.2 mt -108.6 108.98 26.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.006 178.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.913 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 120.837 0.351 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.68 125.41 29.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.427 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 60.66 37.49 19.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.059 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -141.41 131.57 24.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.66 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -144.87 141.89 29.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -153.85 -59.02 0.12 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.596 176.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -97.28 -43.57 7.27 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.301 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 10.9 p -84.3 145.67 28.15 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.535 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.4 -63.05 0.48 Allowed Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -162.49 152.45 16.28 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -113.49 145.28 41.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -124.57 113.52 36.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.964 0.411 . . . . 0.0 110.572 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -117.41 134.63 54.62 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -151.61 136.87 17.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.812 0.339 . . . . 0.0 110.803 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -138.67 173.46 11.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.706 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -147.16 157.66 43.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.823 0.344 . . . . 0.0 110.187 177.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 tp -139.58 132.64 29.55 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.817 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 p -134.58 124.41 44.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.236 0.541 . . . . 0.0 110.117 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -131.85 130.58 41.89 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.411 -177.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -111.68 129.37 56.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.064 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.52 128.27 40.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.448 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -113.33 -12.61 13.01 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.424 0.63 . . . . 0.0 109.458 175.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -86.73 61.39 6.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.685 0.755 . . . . 0.0 109.345 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 35.8 m -95.64 -3.75 10.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.634 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.5 24.32 8.89 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.426 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -174.39 164.73 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -177.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -74.23 64.18 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.742 0.305 . . . . 0.0 110.924 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -133.08 144.06 49.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.174 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.02 122.56 6.59 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.488 178.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.56 129.25 56.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.001 0.429 . . . . 0.0 110.878 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 84.1 mt -113.01 115.51 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.215 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.414 ' N ' HD12 ' C' ' 32' ' ' ILE . 3.5 mp -102.78 114.96 43.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.3 135.4 10.94 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.068 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 tp -143.33 143.34 31.64 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ttt -145.32 122.81 11.7 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 175.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.62 136.12 61.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.822 0.344 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.54 133.5 6.59 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.38 138.7 10.87 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.464 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 44.9 t -114.2 122.33 68.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 61.7 t -109.04 109.49 28.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.994 -177.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' ILE . . . . . 0.403 HD12 ' N ' ' C' ' 41' ' ' ILE . 3.9 mp -92.31 130.76 40.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.61 -0.71 . . . . 0.0 110.949 -177.924 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 110.809 -0.071 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.86 46.32 25.95 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.347 0.405 . . . . 0.0 111.143 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 67.92 65.57 0.37 Allowed 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.859 0.724 . . . . 0.0 109.909 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -58.98 117.61 4.87 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.665 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -67.55 108.61 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.241 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -80.74 -20.73 42.12 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 169.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -69.76 100.26 1.48 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.623 -1.172 . . . . 0.0 109.529 169.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -166.59 -172.89 2.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.891 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.35 -40.61 1.32 Allowed Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -100.4 -36.3 9.28 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -83.28 58.62 4.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.633 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.75 166.51 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.036 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -151.65 97.63 2.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.413 174.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' HIS . . . . . 0.421 ' O ' ' HG3' ' D' ' 16' ' ' LYS . 36.7 m80 -118.96 -10.91 9.77 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.758 -178.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -72.54 112.77 8.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.507 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' D' ' 14' ' ' HIS . 41.4 mttp -121.41 -11.63 8.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.618 -177.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 36.4 tp -60.36 -28.85 68.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.505 -174.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 50.0 t -61.68 -37.68 78.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.112 0.482 . . . . 0.0 110.721 178.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -86.0 -14.16 45.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.487 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -87.21 -38.65 16.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.531 -173.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.16 148.01 35.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.09 -177.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 63.29 52.35 2.45 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.903 0.858 . . . . 0.0 109.781 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -90.28 160.02 16.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.493 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -140.04 3.66 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.786 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.9 -26.55 0.02 OUTLIER Glycine 0 C--N 1.336 0.553 0 C-N-CA 119.771 -1.204 . . . . 0.0 114.375 -176.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -70.0 -20.76 63.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.302 0.551 . . . . 0.0 111.567 -174.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -59.84 -41.44 91.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.546 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -162.04 142.43 10.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.563 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.52 116.77 3.75 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.02 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.07 142.78 19.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.419 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 68.4 mt -124.77 121.18 60.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.695 0.283 . . . . 0.0 110.453 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.63 130.96 69.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.009 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.37 131.06 6.4 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.192 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -107.52 135.78 48.4 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtm -124.57 121.22 34.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.204 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 28.5 m -124.89 135.32 64.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 176.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.02 165.81 31.81 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.361 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.98 141.29 6.82 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.694 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -120.4 129.99 74.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 59.2 t -121.85 115.52 46.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.94 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.407 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 53.9 mt -108.8 109.32 27.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.559 -0.734 . . . . 0.0 110.127 179.884 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.8 t70 . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.718 0.294 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.2 -176.88 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.809 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 60.28 62.79 1.51 Allowed 'General case' 0 C--O 1.231 0.118 0 O-C-N 123.718 0.636 . . . . 0.0 110.932 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -69.95 148.8 48.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.105 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -147.98 82.75 1.5 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.52 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.4 m170 69.08 -61.49 0.43 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.584 -175.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 48.14 47.56 19.14 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.74 0.65 . . . . 0.0 111.549 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 p -77.61 83.21 4.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.919 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.83 46.02 3.26 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.858 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.519 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 47.5 p90 -155.96 152.9 28.77 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -133.19 129.22 37.49 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.061 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.8 m -103.73 122.5 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.311 0.577 . . . . 0.0 110.604 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -115.48 135.78 53.75 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.135 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -142.16 136.08 29.62 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.091 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -140.75 143.35 34.9 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.073 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -140.19 128.4 22.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.076 0.465 . . . . 0.0 110.721 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.8 mt -130.49 127.76 39.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.985 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.6 t -128.01 121.99 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.995 0.426 . . . . 0.0 110.274 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -124.37 139.61 53.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.99 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -127.87 140.04 52.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.932 0.396 . . . . 0.0 111.045 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.16 139.19 53.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.733 176.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -95.59 -19.74 19.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.354 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -136.9 97.63 3.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.389 0.614 . . . . 0.0 110.731 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.441 HG21 ' HB3' ' A' ' 30' ' ' ALA . 21.6 t -101.24 -6.26 9.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.302 174.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.16 90.5 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.214 -177.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.7 m 69.86 54.13 0.37 Allowed 'General case' 0 C--O 1.234 0.262 0 C-N-CA 122.979 0.512 . . . . 0.0 111.207 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 70.24 19.31 6.63 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.9 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -92.08 138.88 31.17 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.42 144.53 17.1 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.493 -173.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.441 ' HB3' HG21 ' A' ' 24' ' ' VAL . . . -139.21 134.84 33.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.828 0.347 . . . . 0.0 110.447 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tt -125.15 130.67 73.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.206 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.4 pt -118.6 132.37 68.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.881 -177.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.61 127.56 6.04 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.399 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.5 mt -126.98 135.54 51.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.8 ttm -139.81 126.59 20.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.14 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.6 t -124.76 133.8 68.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.469 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.83 130.16 6.2 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.6 149.72 20.48 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.131 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.5 t -125.26 120.12 57.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.851 0.358 . . . . 0.0 110.246 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 61.4 t -94.6 106.33 18.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.631 176.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.4 mt -106.01 138.84 29.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.545 -177.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.412 ' O ' ' HA2' ' B' ' 29' ' ' GLY . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.267 175.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.22 49.39 2.63 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 123.586 0.554 . . . . 0.0 110.333 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -79.03 58.99 2.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.473 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 45.6 t80 57.55 85.01 0.09 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.275 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 69.21 9.05 7.16 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.203 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -92.19 -1.55 57.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.199 0.523 . . . . 0.0 109.691 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -119.13 -66.89 1.03 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.963 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m -93.02 144.62 25.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.437 -175.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.07 132.08 1.65 Allowed Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -88.19 101.46 13.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.965 0.412 . . . . 0.0 111.248 -176.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -83.91 -29.85 26.81 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 174.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 p -81.76 138.41 19.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.899 176.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -166.25 173.58 9.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.651 -177.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -145.29 52.79 1.19 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.673 0.749 . . . . 0.0 110.03 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -97.65 122.6 40.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.438 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt 56.91 44.3 23.32 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.716 0.635 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 52.6 tp -69.41 -32.93 72.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.181 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.4 -21.2 28.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.271 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -69.43 -35.94 76.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.17 0.51 . . . . 0.0 110.205 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -87.82 -33.83 18.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.333 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.33 60.17 5.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.004 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -117.57 130.47 56.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.992 177.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -130.43 -10.37 4.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.924 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.6 t -90.65 111.05 22.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.236 0.541 . . . . 0.0 110.872 -175.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.07 9.18 6.31 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 176.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 21.3 p -88.99 3.96 49.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.854 0.359 . . . . 0.0 111.499 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -77.78 112.82 15.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.068 0.461 . . . . 0.0 111.135 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -93.85 42.67 1.1 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.824 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 42' ' ' ALA . . . 150.15 177.54 24.23 Favored Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.475 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.97 138.05 8.94 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 61.1 mt -122.6 122.49 66.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.783 0.325 . . . . 0.0 110.472 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pp -117.41 153.08 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.526 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.52 130.09 3.82 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.081 -0.581 . . . . 0.0 111.846 176.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -111.41 125.35 53.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 63.3 mtm -119.22 122.42 41.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.436 -176.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 13.8 p -132.25 141.34 45.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.907 0.384 . . . . 0.0 110.244 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.19 151.54 23.13 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.195 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.07 147.06 19.02 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.855 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 p -139.45 130.18 32.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.941 0.401 . . . . 0.0 110.796 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -127.53 125.04 64.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.156 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 12.9 tt -117.71 124.49 73.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.972 0.415 . . . . 0.0 110.735 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.707 179.341 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.723 0.297 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.68 -176.82 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.635 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 60.17 62.84 1.53 Allowed 'General case' 0 C--N 1.332 -0.154 0 O-C-N 123.739 0.649 . . . . 0.0 111.006 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -70.01 149.16 48.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -148.4 82.52 1.48 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.607 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 34.4 m170 69.47 -61.16 0.45 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.637 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 47.75 47.71 17.89 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.669 0.606 . . . . 0.0 111.567 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.9 p -77.95 82.63 4.3 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.868 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.24 45.92 3.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.024 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.516 ' HA ' ' O ' ' C' ' 40' ' ' VAL . 47.9 p90 -155.92 152.78 28.67 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -133.19 129.36 37.69 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 m -103.72 122.11 56.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.465 0.65 . . . . 0.0 110.804 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -114.98 135.77 53.85 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.179 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -142.15 136.62 30.2 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.987 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -141.15 143.5 34.29 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.115 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -140.52 128.09 21.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 88.4 mt -130.25 127.82 40.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.998 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -128.37 121.7 56.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.287 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -124.1 139.62 53.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.982 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -127.78 140.25 52.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.216 0.531 . . . . 0.0 111.241 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.21 139.54 53.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.631 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -95.94 -20.01 19.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.137 -176.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -136.66 97.94 3.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.311 0.577 . . . . 0.0 110.792 177.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.442 HG21 ' HB3' ' C' ' 30' ' ' ALA . 21.6 t -101.38 -6.36 9.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.325 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.35 91.07 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.193 -177.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 47.8 m 69.01 54.57 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 122.989 0.515 . . . . 0.0 111.228 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 69.89 19.77 6.9 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.956 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -92.56 138.81 31.19 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.289 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.28 144.27 16.99 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.587 -173.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.442 ' HB3' HG21 ' C' ' 24' ' ' VAL . . . -138.83 134.78 33.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.747 0.308 . . . . 0.0 110.369 179.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tt -124.91 130.74 73.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.144 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 24.0 pt -118.7 132.35 68.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.828 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.47 127.4 6.02 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.535 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -126.72 135.43 51.1 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 49.6 ttm -139.66 126.59 20.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.865 0.364 . . . . 0.0 110.176 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 81.7 t -124.72 133.54 69.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.433 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.34 130.15 6.29 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.43 150.15 20.62 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.151 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -125.6 120.12 56.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.757 0.313 . . . . 0.0 110.252 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' C' ' 10' ' ' TYR . 61.3 t -94.76 106.23 17.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.617 176.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 60.9 mt -105.87 138.76 29.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.627 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' ALA . . . . . 0.401 ' O ' ' HA2' ' D' ' 29' ' ' GLY . . . . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.497 -0.764 . . . . 0.0 110.158 175.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.22 49.32 2.65 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.645 0.59 . . . . 0.0 110.368 -179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -78.84 58.89 2.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.363 -177.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 46.4 t80 57.72 85.08 0.09 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.215 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 69.06 9.22 7.29 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.202 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -92.07 -2.2 56.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.224 0.535 . . . . 0.0 109.669 178.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -118.61 -67.14 1.01 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.003 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 51.1 m -92.79 144.94 24.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.383 -175.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.63 131.73 1.57 Allowed Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -88.19 101.49 13.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.027 0.441 . . . . 0.0 111.317 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -83.87 -29.68 27.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.299 174.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 p -81.98 138.38 19.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.985 176.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -166.28 173.79 9.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.582 -177.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -145.34 52.79 1.19 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.555 0.693 . . . . 0.0 110.022 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -97.73 122.08 40.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.489 -176.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 57.66 44.01 21.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.318 0.58 . . . . 0.0 110.77 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 52.4 tp -69.17 -33.01 72.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.201 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 27.6 m -66.34 -21.15 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.239 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -69.57 -35.75 75.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.226 0.536 . . . . 0.0 110.231 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -87.84 -33.95 18.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.377 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.32 60.4 5.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.977 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -117.59 130.78 56.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.997 177.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -130.64 -10.37 3.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.9 -177.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 58.7 t -90.6 111.15 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 121.113 0.482 . . . . 0.0 110.784 -175.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.99 8.86 6.36 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.574 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 18.6 p -89.04 4.01 49.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.857 0.36 . . . . 0.0 111.367 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -77.84 112.4 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.88 0.371 . . . . 0.0 111.109 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -93.6 42.59 1.1 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.759 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' C' ' 42' ' ' ALA . . . 150.51 177.96 24.93 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.515 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -161.35 137.95 8.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.608 0.242 . . . . 0.0 110.45 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 61.5 mt -122.54 122.51 66.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.763 0.316 . . . . 0.0 110.568 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pp -117.41 152.94 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.509 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.28 130.34 3.94 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 121.126 -0.559 . . . . 0.0 111.892 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 92.3 mt -111.67 125.66 54.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 64.1 mtm -119.67 122.27 41.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.475 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 13.9 p -131.97 141.81 44.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.784 0.326 . . . . 0.0 110.261 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.4 152.17 23.69 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.227 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.38 147.02 18.99 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.922 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 p -139.49 130.13 32.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.993 0.425 . . . . 0.0 110.919 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 p -127.45 124.92 64.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.221 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 tt -117.68 124.28 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.088 0.471 . . . . 0.0 110.891 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.676 179.478 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.96 34.22 21.53 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.753 0.658 . . . . 0.0 110.942 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -105.4 -24.32 12.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.532 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -68.18 -49.13 62.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.848 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -86.02 71.27 10.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.475 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -88.36 -16.79 32.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.571 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -84.54 151.45 24.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.058 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.451 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 50.7 m -148.31 -76.13 0.17 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.939 -175.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.08 56.04 3.59 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.621 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.451 ' CE2' ' HB3' ' A' ' 8' ' ' SER . 37.2 p90 -149.11 157.64 43.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.636 -0.332 . . . . 0.0 110.661 176.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 39' ' ' VAL . 42.6 mt-10 -118.46 136.47 53.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.6 176.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.8 p -118.32 118.43 58.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.416 0.627 . . . . 0.0 110.146 175.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -116.65 151.87 35.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.353 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -139.32 146.57 40.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 0.0 111.072 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -138.98 134.26 32.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.56 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -131.74 128.16 38.31 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.823 0.344 . . . . 0.0 111.144 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.1 mt -125.07 130.78 52.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.019 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -136.19 117.54 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.261 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -131.93 137.95 48.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -134.7 145.17 48.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.683 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.1 133.14 12.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.353 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' HA ' ' HA2' ' A' ' 29' ' ' GLY . 44.5 mt-10 -109.66 23.69 14.08 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.913 0.863 . . . . 0.0 109.286 178.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -98.97 18.93 16.04 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.485 -176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.4 m -88.71 9.53 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.053 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 173.57 -171.67 44.66 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.6 t -78.79 -30.31 45.46 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.107 0.479 . . . . 0.0 109.766 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -153.65 82.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.971 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -168.49 139.63 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.448 ' HA2' ' HA ' ' A' ' 22' ' ' GLU . . . -121.27 146.22 17.26 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.574 -178.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.19 137.62 32.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.829 0.347 . . . . 0.0 110.852 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.7 tt -138.29 140.15 40.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.514 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.438 HG22 HG22 ' B' ' 39' ' ' VAL . 32.3 pt -115.66 144.58 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.399 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.13 131.37 5.8 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.8 tp -133.24 131.99 40.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.703 0.287 . . . . 0.0 110.773 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.8 ttm -131.66 126.33 34.37 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.951 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.413 HG13 ' HG2' ' B' ' 35' ' ' MET . 39.8 t -115.24 138.62 44.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.137 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.26 131.36 5.52 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.83 138.79 9.67 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.653 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 11' ' ' GLU . 68.8 t -126.01 124.14 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.83 112.47 40.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.25 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.5 mt -109.69 125.45 66.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.555 -178.935 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.718 0.294 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.73 42.86 0.72 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -82.97 82.56 8.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.912 -171.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 66.22 87.67 0.12 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.18 177.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -64.99 132.83 50.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.218 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -123.92 61.14 1.1 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.52 84.09 0.84 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.24 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 28.8 p -107.33 -26.03 11.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.161 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.82 47.94 0.58 Allowed Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.301 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -95.69 -48.82 5.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.865 0.364 . . . . 0.0 110.437 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -88.58 69.53 8.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.342 0.592 . . . . 0.0 110.662 -176.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 27.5 m -78.48 -23.06 13.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.763 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -90.5 83.13 5.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -74.85 -47.37 30.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.054 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 51.27 54.21 11.54 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.311 0.577 . . . . 0.0 111.123 177.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -110.7 6.7 21.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.917 -177.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.0 tp -67.36 -39.3 85.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.02 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 17.1 m -65.36 -29.26 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.135 177.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -73.15 -28.22 62.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.14 0.495 . . . . 0.0 110.185 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -81.37 -12.61 58.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.089 178.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.14 14.9 22.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.34 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -134.15 94.8 3.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.151 0.5 . . . . 0.0 110.523 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -76.82 82.24 3.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.648 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 35.7 m -78.37 -23.79 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.004 0.43 . . . . 0.0 110.384 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.13 -161.2 13.51 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.978 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.7 m -75.8 118.2 18.35 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.817 0.342 . . . . 0.0 110.718 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -77.9 60.17 2.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.178 0.513 . . . . 0.0 110.778 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -131.2 131.28 43.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.59 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 171.09 150.37 7.0 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.189 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.61 127.12 55.65 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 69.2 mt -120.83 117.22 52.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.787 0.327 . . . . 0.0 110.5 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.53 126.05 74.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.65 130.53 5.4 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.409 HD12 ' O ' ' B' ' 34' ' ' LEU . 4.0 pp -126.04 145.74 50.19 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.114 0.483 . . . . 0.0 111.034 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.413 ' HG2' HG13 ' A' ' 36' ' ' VAL . 65.5 mtm -126.54 121.37 32.1 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.357 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.82 126.14 73.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.0 143.75 14.49 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.217 -177.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.82 140.38 10.69 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.958 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.438 HG22 HG22 ' A' ' 32' ' ' ILE . 52.7 t -127.42 130.47 70.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -125.38 125.88 69.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.195 0.521 . . . . 0.0 110.548 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mt -112.3 109.6 29.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.945 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.838 -177.339 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.46 34.35 22.58 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.593 0.558 . . . . 0.0 110.973 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -105.04 -24.93 12.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.618 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -67.51 -49.53 62.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.867 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -85.84 71.61 10.63 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -88.61 -16.66 31.9 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.575 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -84.35 151.63 24.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.175 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.45 ' HB3' ' CE2' ' C' ' 10' ' ' TYR . 49.0 m -148.41 -76.01 0.17 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.996 -176.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.04 56.16 3.56 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.568 178.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.45 ' CE2' ' HB3' ' C' ' 8' ' ' SER . 37.2 p90 -149.32 157.74 43.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.852 0.358 . . . . 0.0 110.776 176.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' C' ' 39' ' ' VAL . 42.6 mt-10 -118.32 136.3 53.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.563 176.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 p -118.0 118.53 58.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.354 0.597 . . . . 0.0 110.066 175.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -116.68 151.73 35.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.444 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -138.81 146.97 41.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.364 . . . . 0.0 111.076 -178.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -139.27 134.14 32.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.54 177.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -131.61 128.12 38.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.893 0.378 . . . . 0.0 111.173 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 95.1 mt -125.05 131.08 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.972 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -136.55 117.52 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.171 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -132.0 138.11 48.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.07 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -134.87 144.82 47.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.98 0.419 . . . . 0.0 110.848 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.6 133.06 12.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.363 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' GLU . . . . . 0.451 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . 44.3 mt-10 -109.5 23.64 14.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.864 0.84 . . . . 0.0 109.415 177.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -99.23 19.42 15.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.347 -176.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 35.6 m -89.17 9.7 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.041 -177.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 173.56 -171.64 44.64 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 18.1 t -78.88 -30.81 45.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.192 0.52 . . . . 0.0 109.601 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -152.8 83.19 1.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.058 177.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -168.76 139.38 2.44 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' C' ' 22' ' ' GLU . . . -121.1 146.01 17.3 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.678 -178.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.99 137.61 33.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.604 -0.35 . . . . 0.0 110.732 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 8.8 tt -138.34 140.19 40.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.42 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.446 HG22 HG22 ' D' ' 39' ' ' VAL . 32.3 pt -115.67 144.69 22.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.427 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.04 131.65 5.93 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.61 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 57.5 tp -133.33 131.98 40.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.809 0.338 . . . . 0.0 110.756 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 47.2 ttm -131.79 126.27 33.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.085 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.426 HG13 ' HG2' ' D' ' 35' ' ' MET . 39.9 t -115.16 138.55 45.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.216 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.06 131.37 5.55 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.07 138.58 9.47 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.625 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' C' ' 11' ' ' GLU . 67.3 t -125.79 124.41 66.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.908 0.385 . . . . 0.0 110.136 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 79.7 t -111.1 112.48 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.222 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 25.7 mt -109.64 125.82 66.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.667 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.898 -178.793 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.708 0.289 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.36 43.12 0.76 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -82.97 82.49 8.2 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.961 -171.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 66.2 87.87 0.11 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.858 0.724 . . . . 0.0 111.09 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -65.3 132.57 49.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.184 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -123.65 61.38 1.07 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.264 0.554 . . . . 0.0 109.598 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.39 84.07 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.232 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 31.4 p -107.37 -26.03 11.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.239 -177.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.98 48.15 0.57 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.212 -177.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -95.9 -48.82 5.57 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.876 0.369 . . . . 0.0 110.503 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -88.58 69.45 8.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.382 0.61 . . . . 0.0 110.583 -177.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 27.6 m -78.05 -24.01 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -89.81 83.42 6.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -74.95 -47.68 28.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.115 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 51.87 53.82 11.95 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.609 0.568 . . . . 0.0 111.153 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -110.71 6.77 21.85 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.886 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 50.2 tp -67.26 -39.5 86.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.045 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 m -65.67 -28.83 45.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.093 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -73.38 -28.21 61.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.175 0.512 . . . . 0.0 110.178 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -81.52 -12.56 58.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.107 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.16 14.9 22.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.278 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -134.12 94.75 3.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.164 0.507 . . . . 0.0 110.505 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -77.01 82.73 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.614 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 35.9 m -78.59 -23.91 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.922 0.391 . . . . 0.0 110.511 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.07 -161.64 13.38 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.941 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 20.1 m -75.87 118.56 18.79 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.859 0.362 . . . . 0.0 110.548 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -78.14 60.41 2.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.21 0.529 . . . . 0.0 110.641 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -131.29 131.47 43.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.519 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.96 150.15 6.86 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.258 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.72 127.11 55.68 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -120.74 117.28 52.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.447 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.54 125.96 74.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.56 130.39 5.37 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.41 ' O ' HD12 ' D' ' 34' ' ' LEU . 4.0 pp -126.13 145.67 50.26 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.138 0.494 . . . . 0.0 110.915 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.426 ' HG2' HG13 ' C' ' 36' ' ' VAL . 67.4 mtm -126.48 121.37 32.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.332 177.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -115.81 126.31 73.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.16 143.88 14.6 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.289 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.07 140.33 10.58 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.9 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.446 HG22 HG22 ' C' ' 32' ' ' ILE . 56.6 t -127.56 130.55 70.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 178.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 p -125.4 125.77 69.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.317 0.579 . . . . 0.0 110.589 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 49.6 mt -111.84 109.87 30.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.024 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.342 -0.837 . . . . 0.0 109.962 -177.501 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.798 0.333 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.82 -57.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.444 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 58.9 57.93 3.41 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.583 0.552 . . . . 0.0 110.7 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.435 ' CE2' ' HB2' ' A' ' 7' ' ' ASP . 43.2 t80 -72.55 126.86 30.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -128.72 -76.32 0.56 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.203 178.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -131.47 37.55 3.68 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.435 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 3.9 m-20 -62.2 125.24 23.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.055 -177.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 12.8 m -105.25 168.69 8.91 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.147 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.56 -102.2 0.18 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.342 -0.932 . . . . 0.0 113.082 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -159.82 150.32 18.92 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -174.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.442 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 34.7 mt-10 -142.71 150.12 39.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.957 0.408 . . . . 0.0 110.806 177.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -112.0 113.95 45.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.336 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -116.18 135.02 54.29 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -161.15 136.17 7.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.079 0.466 . . . . 0.0 110.632 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -125.83 145.01 50.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.836 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -146.79 132.8 19.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.974 0.416 . . . . 0.0 110.85 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.8 tp -143.74 120.77 11.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.317 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -117.32 127.84 74.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -136.4 139.54 42.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.077 0.465 . . . . 0.0 110.677 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -110.85 131.05 55.38 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.533 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.59 129.16 52.67 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.043 0.449 . . . . 0.0 110.704 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -97.1 -13.78 21.97 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.225 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -118.62 123.53 45.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.493 -177.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 p -163.21 -29.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.659 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -139.91 -144.95 4.6 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.959 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.3 m -82.67 -47.91 11.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.192 0.52 . . . . 0.0 109.662 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -146.76 69.05 1.17 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -135.95 140.58 44.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.846 -176.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.64 136.96 13.93 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 173.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' B' ' 40' ' ' VAL . . . -117.31 129.42 55.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.345 0.593 . . . . 0.0 111.773 -175.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 mm -113.61 122.61 68.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.344 -0.844 . . . . 0.0 108.935 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.1 tt -129.45 130.54 67.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.414 0.626 . . . . 0.0 111.514 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.45 129.27 5.63 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.392 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.6 mt -120.72 127.17 51.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.787 0.327 . . . . 0.0 110.222 -178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.0 mtm -135.53 133.5 38.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.747 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.04 131.72 67.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.975 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.39 135.58 8.66 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.509 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.13 137.94 8.74 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.018 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.9 t -105.65 117.53 51.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 11' ' ' GLU . 50.4 t -107.5 105.6 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.985 -176.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.4 mt -106.43 104.36 16.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.232 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 8' ' ' SER . . . . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.433 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.19 20.05 11.11 Favored 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.785 0.678 . . . . 0.0 111.668 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -89.39 2.59 54.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.107 0.48 . . . . 0.0 110.45 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -121.55 120.63 35.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.952 175.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -103.16 133.49 48.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.202 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -116.59 89.48 3.12 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -75.61 81.02 2.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.176 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.2 m -59.17 108.91 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.854 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.98 -156.48 6.79 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 121.092 -0.575 . . . . 0.0 111.729 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 59.88 38.7 21.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.229 0.537 . . . . 0.0 110.657 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -78.14 79.89 4.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.7 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.9 m -67.54 105.36 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.656 176.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -82.68 58.56 4.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.542 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -125.83 107.36 10.43 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.071 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -74.92 -21.17 59.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.549 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -66.21 -20.78 66.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.711 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.43 -33.41 75.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.626 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 45.1 t -66.5 -34.82 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.253 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -84.41 -14.1 50.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.297 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -80.15 -55.62 4.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.966 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 52.73 80.44 0.1 Allowed 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.778 0.674 . . . . 0.0 111.524 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.71 114.05 6.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.458 0.646 . . . . 0.0 111.618 -175.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -90.23 131.24 36.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.724 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 22.9 t -121.51 -33.61 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.134 0.492 . . . . 0.0 110.256 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.75 -62.82 0.48 Allowed Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.508 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.2 m -104.49 61.88 0.72 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.214 0.531 . . . . 0.0 109.735 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -77.2 -51.44 10.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.563 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -151.38 21.67 0.73 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.499 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.29 155.82 11.95 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.487 -0.863 . . . . 0.0 113.498 174.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -161.89 127.26 3.5 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 122.797 0.439 . . . . 0.0 110.012 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 62.9 mt -125.44 113.37 34.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.711 0.291 . . . . 0.0 110.407 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 pp -116.26 154.26 17.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.616 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.87 130.85 3.75 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.96 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 48.5 tp -118.54 125.17 49.27 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.915 0.388 . . . . 0.0 110.1 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.2 mtm -112.09 121.32 44.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.948 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.2 t -127.04 126.61 68.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.812 0.339 . . . . 0.0 110.227 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.56 135.51 7.64 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.51 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.63 139.42 11.12 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.428 -0.892 . . . . 0.0 112.181 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 40.0 t -128.0 130.44 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.935 0.398 . . . . 0.0 110.228 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 98.7 t -119.93 115.95 48.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.716 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 63.4 mt -112.34 109.18 27.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.929 0.395 . . . . 0.0 110.458 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.687 178.656 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 120.759 0.314 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.76 -58.02 0.19 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.543 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 59.03 58.0 3.32 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.641 0.588 . . . . 0.0 110.641 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.433 ' CE2' ' HB2' ' C' ' 7' ' ' ASP . 43.4 t80 -72.67 127.12 31.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.352 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -128.92 -75.87 0.56 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.371 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -131.68 36.71 3.71 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' ASP . . . . . 0.433 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . 3.8 m-20 -61.46 125.79 25.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.034 -177.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' C' ' 42' ' ' ALA . 13.0 m -105.76 169.14 8.65 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.953 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.14 -102.37 0.18 Allowed Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.358 -0.925 . . . . 0.0 113.017 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -159.62 150.49 19.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -174.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.435 ' HB2' ' HB ' ' C' ' 40' ' ' VAL . 35.2 mt-10 -142.47 149.86 39.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.903 0.383 . . . . 0.0 111.029 177.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -111.58 114.19 46.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.321 175.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -116.44 134.63 54.64 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -160.75 136.36 8.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.126 0.489 . . . . 0.0 110.74 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -125.77 145.39 50.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.811 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -147.32 132.42 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.975 0.417 . . . . 0.0 110.85 -177.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 60.7 tp -143.72 120.7 11.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.387 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.9 t -117.01 127.84 74.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -136.41 139.64 42.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.033 0.444 . . . . 0.0 110.73 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -110.88 130.99 55.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.526 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.61 128.88 52.41 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.095 0.474 . . . . 0.0 110.668 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -96.72 -14.42 22.03 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.178 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -117.99 123.61 46.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.579 -177.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 p -163.44 -30.07 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.576 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -139.36 -144.51 4.57 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.947 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 21.5 m -82.82 -48.47 10.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.15 0.5 . . . . 0.0 109.699 175.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -146.25 68.75 1.19 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.212 175.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -135.86 140.65 44.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.992 -176.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.44 137.18 14.06 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 173.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' D' ' 40' ' ' VAL . . . -117.47 129.3 55.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.414 0.626 . . . . 0.0 111.643 -175.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 14.9 mm -113.66 122.76 68.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.786 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 tt -129.82 130.61 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.465 0.65 . . . . 0.0 111.528 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.8 128.93 5.47 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.395 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 75.7 mt -120.44 127.22 52.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.765 0.317 . . . . 0.0 110.237 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 71.4 mtm -135.47 133.55 38.64 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.594 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 59.6 t -129.14 131.74 67.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.938 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.41 135.71 8.72 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.657 -0.783 . . . . 0.0 111.272 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.42 138.0 8.71 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.193 -1.003 . . . . 0.0 113.008 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 83.3 t -105.75 117.79 52.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.435 ' HB ' ' HB2' ' C' ' 11' ' ' GLU . 50.6 t -107.57 105.66 19.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -176.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 65.9 mt -106.5 104.31 16.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 174.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 42' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' C' ' 8' ' ' SER . . . . . . . . 0 C--O 1.244 0.803 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.406 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 34.9 t70 . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.64 19.2 10.81 Favored 'General case' 0 N--CA 1.462 0.155 0 O-C-N 123.703 0.627 . . . . 0.0 111.677 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -88.77 2.99 52.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.103 0.477 . . . . 0.0 110.596 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -122.0 120.59 34.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.812 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -103.23 133.5 48.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.962 0.411 . . . . 0.0 110.298 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -116.82 89.24 3.07 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -75.21 81.43 2.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.221 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m -59.7 108.69 0.77 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.883 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.13 -156.86 6.93 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.879 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 60.32 38.12 19.87 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.224 0.535 . . . . 0.0 110.613 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -77.29 80.57 3.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.602 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 6.7 m -68.02 105.57 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.585 176.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -82.76 59.15 4.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.54 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -126.54 107.15 9.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.069 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -74.86 -20.98 59.52 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.637 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -66.02 -21.2 66.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.756 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 96.6 mt -67.15 -33.45 75.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.684 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.4 -35.07 74.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.298 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -84.21 -14.06 51.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.444 179.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -80.05 -55.77 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.915 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . 53.09 81.11 0.09 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.926 0.766 . . . . 0.0 111.414 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -69.38 113.75 6.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.48 0.657 . . . . 0.0 111.598 -175.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -89.7 131.36 35.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.719 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 t -121.72 -33.62 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.388 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.59 -63.48 0.47 Allowed Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.453 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 19.8 m -103.78 61.59 0.75 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.132 0.491 . . . . 0.0 109.932 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -76.98 -51.21 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.591 -177.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -151.26 20.94 0.75 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.511 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.36 156.88 11.74 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.398 -0.906 . . . . 0.0 113.376 174.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.74 127.22 3.09 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 122.6 0.36 . . . . 0.0 110.085 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 63.2 mt -125.45 113.61 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.805 0.336 . . . . 0.0 110.329 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 pp -116.4 154.56 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.638 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.11 131.55 3.99 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.871 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 48.7 tp -119.32 125.15 48.37 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.924 0.392 . . . . 0.0 110.057 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.1 mtm -112.06 121.35 44.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.023 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 46.1 t -126.87 126.66 68.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.227 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.62 135.67 7.73 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.474 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.55 139.53 11.21 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.16 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 40.5 t -128.36 130.47 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' C' ' 30' ' ' ALA . 99.1 t -120.0 115.93 48.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.724 176.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 63.2 mt -112.11 109.18 27.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.962 0.411 . . . . 0.0 110.475 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.93 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.766 178.572 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 120.889 0.376 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.6 94.26 9.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.028 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -101.78 -26.31 13.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.305 0.574 . . . . 0.0 109.914 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -119.77 135.25 54.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.983 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -109.04 131.2 55.29 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -106.54 75.68 1.08 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.119 0.485 . . . . 0.0 110.608 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -123.09 176.4 6.08 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.336 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.9 m 58.9 39.28 23.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.142 0.496 . . . . 0.0 111.065 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.15 -176.88 50.78 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.264 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -139.22 152.35 47.27 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.807 0.337 . . . . 0.0 110.775 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -117.68 129.86 55.99 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.54 123.98 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.587 0.708 . . . . 0.0 111.567 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -113.34 135.34 53.96 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.051 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -149.22 138.48 21.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.04 0.448 . . . . 0.0 111.279 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -137.82 145.4 42.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.6 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -121.24 153.29 37.82 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 175.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 51.2 tp -147.67 128.02 13.95 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 m -134.78 134.52 53.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.315 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.444 ' HB3' ' HB ' ' A' ' 32' ' ' ILE . 55.6 t80 -136.73 131.33 33.33 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.904 0.383 . . . . 0.0 110.021 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -126.13 126.56 44.36 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.801 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.57 129.89 11.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.881 0.372 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.515 ' HA ' ' HA2' ' A' ' 29' ' ' GLY . 4.5 mp0 -94.27 -1.4 54.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.352 178.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -99.71 15.15 27.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.225 -177.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.6 t -82.91 -51.05 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.16 159.79 13.87 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.499 -0.857 . . . . 0.0 111.763 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 p -63.3 100.02 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.813 0.339 . . . . 0.0 110.478 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 59.81 33.96 21.78 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.768 -175.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -138.15 142.42 40.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.519 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' A' ' 22' ' ' GLU . . . -107.42 144.46 15.99 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.336 -178.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.71 130.74 56.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.019 0.438 . . . . 0.0 111.06 -178.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' B' ' 39' ' ' VAL . 4.0 mp -107.79 113.92 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.524 176.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.444 ' HB ' ' HB3' ' A' ' 19' ' ' PHE . 3.6 mp -106.37 124.26 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.29 -179.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.46 128.08 5.08 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.631 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 17' ' ' LEU . 47.8 tp -135.48 146.02 47.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.765 0.317 . . . . 0.0 110.615 -178.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.0 ttm -142.36 132.2 24.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.081 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 66.7 t -126.45 136.04 61.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.414 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.6 133.94 6.38 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.877 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.88 139.94 10.81 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.819 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.6 t -129.14 126.64 64.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.683 0.278 . . . . 0.0 110.516 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.448 HG23 HG12 ' B' ' 31' ' ' ILE . 2.6 p -108.41 113.09 43.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.278 0.561 . . . . 0.0 110.073 176.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.6 mt -98.88 125.23 52.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.089 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.112 -0.947 . . . . 0.0 111.407 179.577 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.7 25.53 4.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.664 0.269 . . . . 0.0 111.523 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -127.5 -38.02 1.96 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.49 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -83.47 104.36 13.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.894 0.378 . . . . 0.0 110.774 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -133.88 -20.0 2.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.975 0.416 . . . . 0.0 111.048 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -88.28 0.41 56.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.859 0.362 . . . . 0.0 110.465 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -88.12 7.16 32.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.264 0.554 . . . . 0.0 110.145 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.9 p -73.88 -19.49 60.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.28 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.46 -131.08 4.85 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.163 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 61.55 36.04 17.11 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.453 0.644 . . . . 0.0 110.759 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.404 ' HB3' ' NE2' ' B' ' 13' ' ' HIS . 46.8 mt-10 -85.75 81.88 8.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.161 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -74.09 86.86 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.827 0.822 . . . . 0.0 109.853 175.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.404 ' NE2' ' HB3' ' B' ' 11' ' ' GLU . 33.7 m80 -72.07 100.08 2.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.452 -176.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -71.71 140.32 49.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.228 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -114.19 169.65 8.87 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.349 0.595 . . . . 0.0 111.703 -172.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -126.63 -178.07 4.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.66 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.4 mt -57.16 -43.84 82.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.697 0.284 . . . . 0.0 111.604 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 36.0 t -66.93 -31.98 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.953 0.406 . . . . 0.0 110.841 -178.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -79.72 -19.88 47.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.71 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -84.27 -24.0 30.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.277 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.42 104.34 3.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.086 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -91.52 83.85 5.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.509 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.62 94.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.231 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 13.5 p -98.31 -19.74 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.123 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.71 -179.04 33.73 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.683 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 21.1 t -140.18 147.57 40.31 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -123.71 142.07 51.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.373 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm 63.65 32.02 14.13 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.883 0.739 . . . . 0.0 110.892 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.3 157.65 27.06 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.175 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.94 129.08 8.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.697 0.284 . . . . 0.0 110.864 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.448 HG12 HG23 ' A' ' 40' ' ' VAL . 66.0 mt -113.11 116.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.429 HG22 HG12 ' D' ' 40' ' ' VAL . 2.1 pp -115.04 148.83 17.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.775 0.321 . . . . 0.0 110.919 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.64 129.8 4.65 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -124.24 134.49 53.24 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.685 0.279 . . . . 0.0 110.449 -177.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -133.11 121.53 22.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.374 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -138.71 132.34 40.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.954 0.407 . . . . 0.0 110.502 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.86 166.79 34.6 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.279 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.69 160.32 30.2 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.887 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 6.6 p -142.48 133.97 25.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.894 0.378 . . . . 0.0 110.326 178.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.428 HG12 HG22 ' D' ' 32' ' ' ILE . 19.6 m -121.34 127.6 75.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.352 176.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 55.4 mt -114.71 110.04 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.562 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.681 178.218 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.721 0.296 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.98 93.58 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.977 0.418 . . . . 0.0 111.212 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -101.32 -26.38 13.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.261 0.553 . . . . 0.0 109.846 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -119.76 135.46 54.84 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.033 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -109.34 130.63 55.49 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -105.92 75.86 1.14 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.09 0.472 . . . . 0.0 110.696 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -123.23 176.58 6.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.421 176.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 31.9 m 58.79 39.31 24.28 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.088 0.471 . . . . 0.0 111.009 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.34 -177.55 50.65 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.267 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -138.71 152.49 48.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.799 0.333 . . . . 0.0 110.715 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -117.68 129.84 55.98 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 178.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -108.45 123.99 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.604 0.716 . . . . 0.0 111.732 -177.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -113.33 135.3 54.0 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.097 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -149.03 138.76 21.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.03 0.443 . . . . 0.0 111.215 -177.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -137.86 145.41 42.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.51 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -121.01 153.3 37.53 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 51.0 tp -147.71 128.17 14.04 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 m -134.98 134.13 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.424 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.443 ' HB3' ' HB ' ' C' ' 32' ' ' ILE . 54.9 t80 -136.5 130.85 33.13 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.804 0.335 . . . . 0.0 110.132 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -125.47 126.71 45.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.82 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.64 129.72 11.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.895 0.379 . . . . 0.0 111.242 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' GLU . . . . . 0.52 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . 4.5 mp0 -93.83 -1.68 54.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.368 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -99.55 15.09 27.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.218 -177.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 89.3 t -82.98 -50.97 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.34 159.65 13.92 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.682 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p -63.07 100.12 0.2 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.778 0.323 . . . . 0.0 110.605 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 59.38 34.74 22.89 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.642 0.734 . . . . 0.0 109.671 -175.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -138.83 142.42 38.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.591 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' C' ' 22' ' ' GLU . . . -107.46 144.58 16.01 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.184 -177.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.73 130.92 57.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.951 0.405 . . . . 0.0 111.221 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' D' ' 39' ' ' VAL . 4.0 mp -107.74 114.13 45.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.477 176.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.443 ' HB ' ' HB3' ' C' ' 19' ' ' PHE . 3.6 mp -106.67 124.28 62.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.253 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.74 127.94 4.98 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.563 176.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 48.9 tp -135.43 145.87 47.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.676 0.274 . . . . 0.0 110.526 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 51.1 ttm -142.16 132.19 24.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.979 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 65.0 t -126.38 136.26 61.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.372 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.96 134.02 6.35 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.797 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.8 140.49 11.29 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.849 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 60.8 t -129.37 126.54 63.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.732 0.301 . . . . 0.0 110.469 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.46 HG23 HG12 ' D' ' 31' ' ' ILE . 2.6 p -108.24 113.25 43.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.222 0.534 . . . . 0.0 110.113 176.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 57.4 mt -99.09 125.55 52.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.097 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 117.984 -1.007 . . . . 0.0 111.188 179.621 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 13.8 t70 . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.92 25.94 4.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -127.85 -37.98 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.37 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -83.51 104.35 13.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.8 0.333 . . . . 0.0 110.66 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -133.64 -20.21 2.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.975 0.416 . . . . 0.0 111.075 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -88.3 0.13 56.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.971 0.415 . . . . 0.0 110.367 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.63 7.02 31.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.237 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 3.9 p -73.8 -19.55 60.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.266 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.64 -131.01 4.79 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.098 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 61.49 35.91 17.33 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.427 0.632 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.411 ' HB3' ' NE2' ' D' ' 13' ' ' HIS . 47.1 mt-10 -86.0 82.15 8.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.996 -178.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 p -74.39 87.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.827 0.822 . . . . 0.0 109.819 174.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 13' ' ' HIS . . . . . 0.411 ' NE2' ' HB3' ' D' ' 11' ' ' GLU . 33.9 m80 -72.32 99.93 2.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.524 -176.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -71.43 140.58 50.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.206 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -114.48 169.46 9.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.226 0.536 . . . . 0.0 111.585 -172.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -126.29 -177.86 4.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.582 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.22 -44.46 83.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.716 0.293 . . . . 0.0 111.458 -178.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 33.3 t -66.53 -31.67 54.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.38 . . . . 0.0 110.973 -178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -79.96 -19.64 47.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.782 0.325 . . . . 0.0 110.725 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -84.29 -24.17 30.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.19 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.39 104.36 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.065 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -91.5 84.34 5.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.418 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -64.2 94.23 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.15 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 p -97.44 -19.58 5.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.21 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.73 -179.24 33.6 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.642 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 21.6 t -140.29 146.86 39.1 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -122.99 142.51 50.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.503 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 63.57 31.66 14.55 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.67 0.606 . . . . 0.0 111.066 178.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.37 158.1 27.37 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.203 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.21 129.1 7.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.671 0.272 . . . . 0.0 110.849 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.46 HG12 HG23 ' C' ' 40' ' ' VAL . 66.2 mt -113.12 116.68 53.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.428 HG22 HG12 ' B' ' 40' ' ' VAL . 2.1 pp -114.92 149.15 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 -178.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.06 129.84 4.6 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 174.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -124.23 134.62 53.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.612 0.244 . . . . 0.0 110.539 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 25.7 ttt -133.13 121.6 22.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.43 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -139.01 132.22 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.05 0.452 . . . . 0.0 110.427 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.81 166.86 34.59 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.263 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.94 160.42 30.36 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 121.047 -0.596 . . . . 0.0 111.808 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 6.7 p -142.63 133.74 24.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 120.945 0.402 . . . . 0.0 110.335 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.429 HG12 HG22 ' B' ' 32' ' ' ILE . 20.4 m -120.97 127.63 75.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.305 176.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 55.1 mt -114.69 110.07 30.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.61 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.889 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.512 178.362 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.923 0.392 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.48 141.65 25.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.249 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -154.71 154.14 32.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.85 0.357 . . . . 0.0 110.467 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -147.86 140.61 24.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.099 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -134.21 -4.99 2.68 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.515 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -88.73 53.18 2.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.134 0.493 . . . . 0.0 110.981 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -98.77 -54.12 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.835 176.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.6 t -154.27 149.07 26.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.524 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.89 -79.15 0.11 Allowed Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 111.545 -0.622 . . . . 0.0 111.545 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -158.7 152.05 22.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 176.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -123.09 133.46 54.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.339 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m -106.2 143.83 16.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.686 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -144.91 135.95 24.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.269 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -159.54 138.51 10.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.045 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -142.31 154.17 44.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.124 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -141.55 149.39 40.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.916 0.389 . . . . 0.0 110.689 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -134.07 130.55 37.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.727 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.47 117.25 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.841 0.353 . . . . 0.0 110.24 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.03 121.01 36.01 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -135.22 137.45 42.63 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.181 0.515 . . . . 0.0 111.526 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.52 153.58 41.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.86 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -115.08 -19.57 10.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.104 0.478 . . . . 0.0 110.995 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -97.85 44.79 1.03 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.866 -177.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 t -86.21 75.78 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.429 0.633 . . . . 0.0 110.618 -177.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.37 -135.23 12.47 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.207 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.3 t -77.42 -51.33 10.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.78 0.324 . . . . 0.0 110.43 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -166.77 87.67 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.532 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -172.38 140.69 1.13 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.963 172.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.89 162.21 21.13 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.551 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.67 138.46 25.91 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.754 0.312 . . . . 0.0 110.507 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.0 tt -130.07 124.16 57.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.339 0.59 . . . . 0.0 110.516 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 32' ' ' ILE . 4.1 mp -112.01 121.44 64.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.684 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.11 129.1 7.47 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.853 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.1 tp -134.75 129.99 35.5 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttm -142.26 136.22 29.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.689 0.28 . . . . 0.0 110.492 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.14 140.1 43.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.467 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.15 140.85 8.65 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.79 161.49 30.29 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.721 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -129.72 130.35 66.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.791 0.329 . . . . 0.0 110.401 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -106.28 112.81 41.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.665 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.5 mt -103.91 112.7 38.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.765 -176.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.441 ' HB3' ' H ' ' B' ' 29' ' ' GLY . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.444 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.447 ' H2 ' ' CD ' ' B' ' 3' ' ' GLU . 1.2 m-20 . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.959 0.409 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.52 36.05 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 177.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.447 ' CD ' ' H2 ' ' B' ' 1' ' ' ASP . 4.3 mp0 -90.59 16.31 9.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.376 -175.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -70.48 -19.04 62.98 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.685 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -73.02 74.86 1.2 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.409 0.623 . . . . 0.0 111.745 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -148.63 30.16 0.83 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.004 0.43 . . . . 0.0 110.771 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -122.78 168.04 12.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.278 -178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 36.5 m -147.4 149.62 33.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.791 0.329 . . . . 0.0 110.23 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.79 -40.74 2.37 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.818 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -82.37 61.85 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.249 0.547 . . . . 0.0 109.941 176.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -145.48 145.92 31.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.37 -175.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 t -123.98 90.99 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.033 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -108.54 -58.69 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.024 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -122.14 -27.05 4.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.239 177.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -92.11 124.97 36.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.304 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -151.08 -24.92 0.21 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.045 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 90.2 mt -74.75 -23.05 58.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.465 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.92 -40.02 87.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.289 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -69.56 -29.83 67.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.222 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -80.65 -29.65 36.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.764 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.99 66.48 7.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.323 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -79.07 124.72 28.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 35.1 t70 57.68 73.62 0.46 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.421 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 28.2 m -118.63 157.83 20.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.559 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -143.5 168.73 26.17 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.055 -177.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t -102.41 -17.5 15.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.958 0.409 . . . . 0.0 110.629 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -86.6 67.12 9.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.209 0.528 . . . . 0.0 110.673 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -133.35 89.26 2.58 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.569 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.441 ' H ' ' HB3' ' A' ' 42' ' ' ALA . . . 100.8 50.9 1.22 Allowed Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.463 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.414 ' HA ' ' HB3' ' D' ' 42' ' ' ALA . . . -118.98 134.26 55.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.683 0.278 . . . . 0.0 110.713 -178.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 70.2 mt -133.28 125.49 51.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.431 . . . . 0.0 110.998 -176.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.07 136.69 60.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.771 175.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.5 130.29 3.89 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.062 177.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 60.9 tp -123.4 127.22 48.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.756 0.312 . . . . 0.0 110.485 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 27.9 ttt -125.53 121.79 34.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.244 -178.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.43 133.26 69.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.933 0.397 . . . . 0.0 110.852 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.68 142.07 11.97 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.98 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.28 143.91 12.73 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.137 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.19 131.37 72.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.977 0.418 . . . . 0.0 110.344 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.94 117.83 51.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.933 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.416 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 55.7 mt -116.77 125.02 73.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.964 -179.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' D' ' 30' ' ' ALA . . . . . . . . 0 C--O 1.248 1.001 0 O-C-N 124.209 0.943 . . . . 0.0 111.111 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.99 0.424 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.46 141.63 25.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.263 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -154.82 153.82 31.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.813 0.34 . . . . 0.0 110.418 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -147.67 140.36 24.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.179 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -133.75 -5.02 2.84 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.636 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -88.78 53.05 2.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.117 0.485 . . . . 0.0 111.0 -177.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -98.52 -54.14 3.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.887 176.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 14.8 t -154.41 149.65 27.04 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.538 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.44 -79.43 0.11 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -158.43 151.91 23.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.78 0.324 . . . . 0.0 110.146 177.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -122.87 133.47 54.42 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.303 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 m -106.36 143.62 16.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -144.96 135.27 24.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.297 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -158.32 140.03 13.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.738 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -143.23 154.44 43.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.102 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -141.43 149.33 40.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.878 0.371 . . . . 0.0 110.783 177.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.2 mt -133.85 130.96 38.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.759 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.93 117.11 43.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -122.02 120.66 35.02 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -134.84 137.7 43.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.189 0.519 . . . . 0.0 111.471 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.73 153.61 41.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.756 178.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -115.37 -19.33 10.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.093 0.473 . . . . 0.0 110.99 -176.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -98.08 45.17 1.02 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.718 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -86.37 74.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.363 0.601 . . . . 0.0 110.681 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.89 -135.62 12.75 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.962 177.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -77.0 -51.68 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.789 0.328 . . . . 0.0 110.3 -178.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -166.34 87.46 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.698 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -172.44 140.65 1.1 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.867 173.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.08 162.26 20.97 Favored Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.631 177.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.69 138.12 25.66 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.778 0.323 . . . . 0.0 110.669 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 11.9 tt -129.69 124.17 58.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.323 0.582 . . . . 0.0 110.447 177.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.409 ' N ' HD12 ' C' ' 32' ' ' ILE . 4.1 mp -111.99 121.5 64.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.734 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.0 129.48 7.64 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.686 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 57.1 tp -135.05 129.9 34.78 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 51.2 ttm -142.33 136.15 29.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.764 0.316 . . . . 0.0 110.533 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.12 140.12 43.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.478 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.23 140.66 8.5 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.511 -0.635 . . . . 0.0 111.511 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.77 161.3 30.18 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.671 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -129.42 130.46 67.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.872 0.368 . . . . 0.0 110.348 -178.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 60.5 t -106.44 112.77 40.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.713 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 68.0 mt -103.84 112.9 39.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.853 -176.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 42' ' ' ALA . . . . . 0.43 ' HB3' ' H ' ' D' ' 29' ' ' GLY . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.342 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 1' ' ' ASP . . . . . 0.451 ' H2 ' ' CD ' ' D' ' 3' ' ' GLU . 1.2 m-20 . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 121.129 0.49 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.16 35.15 1.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.733 0.778 . . . . 0.0 109.006 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.451 ' CD ' ' H2 ' ' D' ' 1' ' ' ASP . 4.0 mp0 -89.73 16.3 8.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.363 -175.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -70.32 -18.31 63.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.859 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -74.07 74.21 1.72 Allowed 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.331 0.586 . . . . 0.0 111.713 -178.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -148.02 31.2 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.039 0.447 . . . . 0.0 110.78 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -123.48 167.85 13.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.179 -178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 34.1 m -147.42 149.87 33.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.781 0.324 . . . . 0.0 110.184 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.75 -41.49 2.16 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.678 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -81.78 62.38 5.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.272 0.558 . . . . 0.0 109.896 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -145.9 145.92 30.89 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.323 -175.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 t -124.08 91.05 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.013 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -108.98 -57.49 2.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.881 0.372 . . . . 0.0 110.235 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -123.23 -26.84 4.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.263 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -92.27 125.13 36.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.131 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -150.97 -25.39 0.21 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.924 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 89.7 mt -74.8 -22.42 58.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.475 -178.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 47.6 t -65.32 -40.16 87.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.246 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -69.3 -29.97 67.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.383 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -80.4 -29.85 37.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.709 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.89 66.6 7.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.227 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -79.22 124.58 28.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 t70 58.18 73.33 0.48 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.31 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 28.4 m -118.49 157.92 19.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.497 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -143.54 168.07 26.39 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.02 -177.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 8.1 t -101.29 -19.12 15.78 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.829 0.347 . . . . 0.0 110.583 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -85.43 67.31 10.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.248 0.547 . . . . 0.0 110.726 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -133.49 89.61 2.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.481 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.43 ' H ' ' HB3' ' C' ' 42' ' ' ALA . . . 100.74 50.56 1.27 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.389 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.539 ' HA ' ' HB3' ' B' ' 42' ' ' ALA . . . -118.73 134.07 55.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.702 0.287 . . . . 0.0 110.789 -178.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.416 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 70.4 mt -133.15 125.35 51.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.948 0.404 . . . . 0.0 110.983 -176.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.79 137.03 58.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.59 130.32 3.89 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.015 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 60.4 tp -123.66 127.13 47.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.787 0.327 . . . . 0.0 110.473 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 28.0 ttt -125.56 121.86 34.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.232 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -125.52 133.4 69.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.116 0.484 . . . . 0.0 110.81 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.71 142.22 12.1 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.986 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.24 143.91 12.74 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.108 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -124.09 131.63 72.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.036 0.446 . . . . 0.0 110.383 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.93 118.06 52.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.824 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 56.4 mt -116.83 125.09 73.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.932 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 42' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' B' ' 30' ' ' ALA . . . . . . . . 0 C--O 1.247 0.946 0 O-C-N 124.21 0.943 . . . . 0.0 111.121 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.644 0.259 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.97 79.62 7.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.997 0.427 . . . . 0.0 110.891 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -105.84 114.77 29.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.894 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 59.25 37.68 23.6 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.295 0.569 . . . . 0.0 110.272 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -71.39 115.02 10.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.852 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -83.68 72.3 10.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.821 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -91.0 171.76 9.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.166 -177.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.1 p -151.41 138.52 19.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.713 0.292 . . . . 0.0 110.416 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.96 -60.76 0.13 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.21 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -146.68 152.87 39.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.909 0.385 . . . . 0.0 111.298 -176.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -112.24 129.76 56.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.213 172.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.94 134.8 54.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.857 0.36 . . . . 0.0 110.575 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -140.55 135.29 31.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -120.82 136.59 54.87 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -134.93 134.05 40.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.724 0.297 . . . . 0.0 110.335 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -122.8 133.77 54.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.317 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.64 121.97 31.85 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.835 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 m -125.43 137.63 57.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.088 0.47 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -135.68 138.94 43.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.457 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -132.76 133.57 43.61 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.327 0.584 . . . . 0.0 111.12 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.34 128.86 54.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.681 176.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -92.16 -11.43 35.59 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.4 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -135.23 127.66 30.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.616 175.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 t -126.78 45.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 173.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.7 -64.95 0.56 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.235 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.0 m -154.85 -57.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.639 0.257 . . . . 0.0 111.295 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -129.87 30.94 4.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.583 0.23 . . . . 0.0 111.44 -176.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -121.75 149.13 43.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.781 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -126.86 154.82 19.45 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' B' ' 40' ' ' VAL . . . -141.81 130.75 23.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.426 0.613 . . . . 0.0 111.625 -176.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -122.09 128.67 75.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.6 tt -130.88 136.53 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.986 0.422 . . . . 0.0 110.499 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.79 142.43 10.62 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.737 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -140.05 140.7 36.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.006 0.431 . . . . 0.0 110.584 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 70.5 mtm -126.86 129.73 48.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.689 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -121.86 131.79 72.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.427 -178.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.76 130.58 9.02 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.35 145.52 17.35 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.625 -177.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.3 t -129.44 121.14 52.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.7 t -104.49 106.27 20.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.953 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.2 mt -100.59 140.93 18.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.467 -0.778 . . . . 0.0 110.743 179.793 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 121.067 0.46 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.82 135.53 54.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.307 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -91.16 -30.26 16.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.891 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -100.82 138.59 37.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.291 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -119.9 28.85 7.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.161 0.505 . . . . 0.0 110.03 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -85.92 -52.07 5.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.524 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -103.45 170.32 8.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.521 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 35.6 p -148.66 125.14 10.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.448 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.11 118.55 0.42 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.57 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -80.94 39.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.937 0.398 . . . . 0.0 110.748 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.13 51.75 2.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.237 0.542 . . . . 0.0 110.755 -176.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.7 m -129.95 162.02 38.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.027 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -118.55 41.33 3.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.789 0.328 . . . . 0.0 110.358 -178.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 59.55 -156.59 0.34 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.945 -177.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -85.83 -50.89 6.78 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 171.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -131.18 101.97 5.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.836 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 53.4 tp -70.63 -28.54 64.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.004 0.43 . . . . 0.0 109.892 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.5 -25.07 35.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.91 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -71.15 -28.91 64.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.46 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -88.87 -11.55 44.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.129 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.16 83.97 6.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.715 -175.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.07 -33.44 67.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.294 0.569 . . . . 0.0 110.222 173.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -145.57 -73.39 0.24 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.13 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 13.5 p -170.02 -36.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.144 173.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 175.54 -172.36 45.39 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.893 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 47.5 m 66.29 -174.96 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 122.887 0.475 . . . . 0.0 111.529 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 60.47 45.36 10.89 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.431 -177.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -126.25 129.65 49.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.448 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.64 78.0 0.59 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.154 -175.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.26 139.42 52.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -127.09 120.5 55.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.549 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -115.92 149.11 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.308 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.73 130.55 3.25 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.125 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -115.67 134.55 54.93 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 59.1 mtm -119.97 123.26 43.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.773 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -122.36 125.93 73.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.3 162.23 28.4 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.902 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.93 153.51 24.8 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.17 -0.538 . . . . 0.0 111.766 177.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -142.03 132.06 24.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.979 0.419 . . . . 0.0 110.604 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 16.8 m -124.34 123.53 66.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.8 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 58.2 mt -114.83 109.47 28.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.057 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.769 -179.187 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.757 0.313 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.62 79.62 8.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.007 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -105.95 114.59 28.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.851 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 59.48 37.42 22.95 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.322 0.582 . . . . 0.0 110.194 -177.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -70.99 115.32 9.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.005 -177.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -84.02 72.16 10.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.702 178.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -90.53 172.29 8.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.045 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 19.4 p -152.47 138.33 18.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.78 0.324 . . . . 0.0 110.428 -177.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.26 -60.35 0.12 Allowed Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.293 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -147.01 152.5 38.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.143 0.497 . . . . 0.0 111.404 -176.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -112.08 129.61 56.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.28 172.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.72 135.18 52.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.886 0.374 . . . . 0.0 110.582 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -141.1 135.49 31.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.759 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -120.9 136.43 54.94 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -134.68 134.08 40.72 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -123.01 133.85 54.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.983 0.42 . . . . 0.0 110.405 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.61 121.97 31.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.726 178.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 20.5 m -125.37 137.39 57.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.982 0.42 . . . . 0.0 110.98 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -135.33 139.17 44.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -132.88 133.63 43.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.269 0.556 . . . . 0.0 111.12 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.43 129.02 54.56 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.665 176.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -92.34 -11.46 34.99 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.443 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -135.18 128.01 31.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.43 175.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 t -127.11 45.46 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 173.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.22 -65.88 0.55 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.102 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 21.0 m -154.43 -57.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.643 0.259 . . . . 0.0 111.259 178.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -129.83 30.68 4.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.528 0.204 . . . . 0.0 111.382 -176.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -121.57 149.17 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.588 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -126.77 155.23 19.57 Favored Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' D' ' 40' ' ' VAL . . . -142.35 130.76 22.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.346 0.573 . . . . 0.0 111.602 -177.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.98 128.75 75.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.524 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.7 tt -130.92 136.71 57.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.037 0.446 . . . . 0.0 110.574 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.03 141.95 10.12 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.665 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -139.76 140.74 36.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.025 0.441 . . . . 0.0 110.581 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 70.0 mtm -126.62 129.93 49.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.772 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.3 t -121.93 131.7 72.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.493 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.75 130.47 8.96 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.38 145.66 17.48 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.625 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 88.5 t -129.51 120.92 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.842 0.353 . . . . 0.0 110.08 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -104.25 106.09 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.978 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 24.8 mt -100.34 141.38 17.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.726 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 121.195 0.522 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.73 134.98 53.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.312 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -90.7 -30.17 17.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.061 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -100.87 138.34 38.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.298 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -119.51 28.36 8.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.136 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -85.46 -52.3 5.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.519 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -103.35 170.27 8.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.542 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 41.0 p -148.44 125.5 11.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.521 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.67 119.23 0.4 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.542 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -81.7 39.87 0.57 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.909 0.385 . . . . 0.0 110.755 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -85.02 51.74 2.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.709 -176.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 30.3 m -129.53 162.54 36.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.121 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -119.0 41.07 3.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.684 0.278 . . . . 0.0 110.439 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 59.42 -157.13 0.33 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.947 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -85.37 -51.13 6.77 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 171.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -130.98 102.02 5.87 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.929 175.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 53.2 tp -70.53 -28.9 65.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.015 0.436 . . . . 0.0 109.84 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -61.49 -24.89 35.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.026 177.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -71.01 -29.09 64.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.424 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -88.74 -11.76 44.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.06 84.03 6.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.669 -175.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.12 -33.26 67.16 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.241 173.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.408 ' OD2' HG12 ' D' ' 24' ' ' VAL . 28.0 t70 -145.76 -73.72 0.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.058 176.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.408 HG12 ' OD2' ' D' ' 23' ' ' ASP . 13.6 p -169.58 -36.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.13 173.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.82 -173.34 46.11 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.818 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 46.3 m 67.27 -175.54 0.2 Allowed 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.888 0.475 . . . . 0.0 111.744 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 60.84 44.68 10.57 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.419 -177.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -125.18 129.39 50.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.515 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.35 77.99 0.62 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.134 -175.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.36 139.37 52.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.71 0.291 . . . . 0.0 110.852 -176.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 66.5 mt -127.05 120.08 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.495 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -115.72 149.35 17.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.66 130.8 3.33 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.033 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 96.8 mt -115.93 134.73 54.67 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 59.3 mtm -120.19 123.21 42.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -174.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.42 125.94 73.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.41 162.12 28.41 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.952 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.01 153.17 24.54 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 p -142.01 132.09 24.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.017 0.437 . . . . 0.0 110.504 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' C' ' 30' ' ' ALA . 16.8 m -124.25 123.53 66.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.683 178.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 58.9 mt -114.9 109.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.066 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.729 -179.001 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 110.712 -0.107 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.0 75.03 0.41 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.247 0.546 . . . . 0.0 111.2 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -67.44 -30.73 70.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.881 176.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -83.38 76.38 9.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.164 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -136.94 144.11 43.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.386 177.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -152.61 137.53 17.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.663 0.268 . . . . 0.0 110.663 -176.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.17 112.64 7.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.63 177.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -68.46 107.9 3.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.064 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.78 -58.15 1.54 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.688 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -142.79 152.34 42.15 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.16 134.05 55.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.829 0.347 . . . . 0.0 111.16 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 39' ' ' VAL . 3.6 p -122.79 133.13 69.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.562 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -139.56 153.0 47.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.073 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -141.84 145.55 34.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.807 0.337 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -126.43 135.45 51.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.909 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -127.65 129.92 48.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.834 0.35 . . . . 0.0 110.789 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.4 mt -130.49 131.32 45.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.288 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.3 m -128.36 131.14 69.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.144 0.497 . . . . 0.0 110.68 178.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -134.96 129.33 34.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.507 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -101.46 111.43 23.66 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.677 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.17 127.68 46.39 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.935 0.397 . . . . 0.0 110.083 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -117.33 -25.58 7.0 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.293 0.568 . . . . 0.0 109.67 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -84.03 42.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.739 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -104.08 -0.39 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.994 0.426 . . . . 0.0 110.986 -178.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.63 -174.54 46.98 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.835 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.5 m -72.62 -50.39 25.55 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.71 0.29 . . . . 0.0 110.738 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -138.96 61.92 1.55 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.814 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -162.28 152.25 16.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.265 177.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.49 159.92 23.3 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.954 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' B' ' 40' ' ' VAL . . . -133.92 130.03 37.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.969 0.414 . . . . 0.0 110.864 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.431 ' N ' HD12 ' A' ' 31' ' ' ILE . 3.9 mp -103.39 123.1 56.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.9 mt -115.33 115.96 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.918 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.8 127.59 7.19 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.319 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.5 mt -131.21 130.29 42.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.659 0.266 . . . . 0.0 110.603 -177.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 66.7 mtt -134.86 133.36 39.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.513 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 64.2 t -130.33 131.86 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.386 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.87 130.72 8.91 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.35 138.93 11.01 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.956 -177.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.438 HG22 HG23 ' A' ' 12' ' ' VAL . 48.0 t -132.59 131.87 59.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.792 0.33 . . . . 0.0 110.747 -177.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.6 t -93.9 105.98 17.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 173.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mt -99.48 112.53 32.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -175.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.417 178.542 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 121.097 0.475 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.14 39.28 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.659 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -63.65 -49.42 73.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.725 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -90.92 34.81 0.9 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.494 0.664 . . . . 0.0 110.022 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.565 ' HB3' ' OD1' ' B' ' 7' ' ' ASP . 25.7 mtp180 -138.09 -64.58 0.53 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.033 -178.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 56.31 39.74 30.07 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.723 0.773 . . . . 0.0 110.075 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ASP . . . . . 0.565 ' OD1' ' HB3' ' B' ' 5' ' ' ARG . 9.4 p-10 -90.78 53.46 2.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.908 177.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 12.8 m -68.32 -19.77 64.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.763 -174.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.1 7.64 4.76 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.352 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.421 ' HB3' ' HB2' ' B' ' 7' ' ' ASP . 73.7 t80 -94.12 90.93 6.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.998 0.428 . . . . 0.0 110.968 -176.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 55.82 52.41 10.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.291 174.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 t -81.73 -49.94 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.568 176.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 54.63 72.41 0.47 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.886 175.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -137.05 150.85 48.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 176.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -63.21 131.8 49.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.854 -177.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -122.6 103.15 8.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.564 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 tp -67.6 -25.89 65.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.279 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 28.6 m -66.32 -24.03 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.903 177.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -84.18 -28.49 27.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.491 0.662 . . . . 0.0 109.662 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -80.71 -46.06 16.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.748 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.53 38.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.672 -175.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -91.73 -66.47 0.92 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 58.32 79.83 0.2 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.372 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.31 -26.99 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.19 0.519 . . . . 0.0 110.39 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.48 153.62 8.1 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.78 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 24.0 m 60.23 27.28 16.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.369 0.604 . . . . 0.0 110.708 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -102.55 8.73 39.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.064 -175.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -92.27 95.51 9.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.33 178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -149.72 172.71 29.63 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.674 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.22 130.78 41.82 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 54.5 mt -103.53 113.8 41.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.827 0.346 . . . . 0.0 110.368 -178.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -108.45 154.13 9.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.512 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.48 129.78 3.57 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.958 177.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.3 tp -107.47 125.41 51.22 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 63.1 mtt -113.06 122.12 46.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.392 -176.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.9 m -130.96 140.81 47.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.952 0.406 . . . . 0.0 110.276 177.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.94 162.01 31.44 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.082 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.85 139.55 8.05 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.583 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 27.5 m -130.84 134.86 61.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.027 0.441 . . . . 0.0 110.413 179.133 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 4.0 p -126.23 126.39 69.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.411 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mt -107.71 109.27 27.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.012 -179.722 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.39 75.14 0.4 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.271 0.558 . . . . 0.0 111.218 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.67 -30.47 70.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.814 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -83.44 76.21 9.94 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.143 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -136.83 144.03 43.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.477 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -152.59 137.28 16.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.532 0.206 . . . . 0.0 110.737 -175.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -71.02 112.55 7.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.639 177.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m -68.52 108.89 3.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.754 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.96 -57.71 1.47 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.604 177.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -142.66 152.14 42.12 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -117.97 134.34 55.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.853 0.359 . . . . 0.0 111.194 -176.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.441 HG23 HG22 ' C' ' 39' ' ' VAL . 3.7 p -122.89 132.77 70.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.614 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -139.2 152.74 47.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.938 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -141.66 145.44 34.95 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.718 0.294 . . . . 0.0 110.773 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -126.48 135.64 51.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.969 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -127.83 129.92 47.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.137 0.494 . . . . 0.0 110.9 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -130.51 131.53 45.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.134 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 15.4 m -128.61 131.29 68.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.965 0.412 . . . . 0.0 110.538 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -135.06 129.32 33.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.66 -177.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -101.66 111.1 23.24 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.83 127.61 45.98 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.841 0.353 . . . . 0.0 110.173 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -117.4 -25.48 6.99 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.32 0.581 . . . . 0.0 109.702 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.29 42.38 0.88 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.725 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 27.5 m -104.05 -0.65 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.981 0.42 . . . . 0.0 110.995 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.85 -174.45 46.85 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.797 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.2 m -72.49 -50.52 25.4 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.888 0.375 . . . . 0.0 110.716 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -138.94 62.2 1.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.795 -177.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -162.34 152.39 16.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.256 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.4 160.11 23.33 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.792 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' D' ' 40' ' ' VAL . . . -133.97 130.06 37.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.027 0.442 . . . . 0.0 110.949 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.425 ' N ' HD12 ' C' ' 31' ' ' ILE . 3.9 mp -103.53 123.18 56.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 64.2 mt -115.37 115.72 50.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.55 127.41 7.15 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.441 -0.663 . . . . 0.0 111.441 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 78.6 mt -131.08 130.52 43.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.644 0.259 . . . . 0.0 110.691 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 66.0 mtt -135.03 133.13 39.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.762 0.315 . . . . 0.0 110.501 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 64.6 t -130.1 131.81 65.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.456 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.11 130.46 8.74 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.516 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.06 138.87 11.04 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.996 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.441 HG22 HG23 ' C' ' 12' ' ' VAL . 48.1 t -132.79 131.93 59.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.862 0.363 . . . . 0.0 110.621 -177.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.98 106.19 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 173.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 47.7 mt -99.54 112.76 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.748 -175.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.44 -0.79 . . . . 0.0 110.392 178.39 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 121.106 0.479 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.5 40.05 1.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.554 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -64.81 -49.21 71.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.491 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -90.79 34.75 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.402 0.62 . . . . 0.0 110.126 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 5' ' ' ARG . . . . . 0.559 ' HB3' ' OD1' ' D' ' 7' ' ' ASP . 25.9 mtp180 -138.31 -63.79 0.54 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.243 -178.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 55.77 39.76 30.76 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.719 0.771 . . . . 0.0 110.259 -178.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 7' ' ' ASP . . . . . 0.559 ' OD1' ' HB3' ' D' ' 5' ' ' ARG . 9.4 p-10 -90.82 53.63 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.874 177.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 13.5 m -68.43 -20.65 64.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.633 -174.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.68 7.19 5.23 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.462 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.434 ' HB3' ' HB2' ' D' ' 7' ' ' ASP . 74.7 t80 -93.92 91.11 6.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.949 0.404 . . . . 0.0 110.788 -176.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 55.76 52.9 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.171 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 25.2 t -82.3 -49.83 16.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 54.65 72.35 0.47 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.965 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -137.0 150.62 48.23 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -63.11 131.79 49.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.747 -177.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -122.46 102.5 8.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.745 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 47.1 tp -67.18 -25.64 66.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.324 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 28.1 m -66.38 -24.44 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -83.71 -28.82 28.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.288 0.566 . . . . 0.0 109.637 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -80.37 -46.0 16.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.807 -178.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.61 39.17 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.623 -175.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -92.06 -66.22 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 t70 58.24 80.17 0.19 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.353 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.16 -26.39 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.141 0.496 . . . . 0.0 110.439 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.16 153.31 8.06 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.641 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 25.3 m 60.69 27.17 16.91 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.351 0.596 . . . . 0.0 110.748 -179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -102.47 8.87 39.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.127 -175.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -92.51 95.46 9.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.198 0.523 . . . . 0.0 110.353 178.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -149.49 172.58 29.47 Favored Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.579 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.23 130.74 41.86 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 56.2 mt -103.51 113.93 41.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.773 0.321 . . . . 0.0 110.381 -178.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -108.48 154.44 9.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.496 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.66 129.85 3.58 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.067 177.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 57.4 tp -107.53 125.5 51.37 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 63.4 mtt -113.09 121.8 45.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.427 -176.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 24.9 m -130.85 140.83 47.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.035 0.445 . . . . 0.0 110.231 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.74 162.55 31.7 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.095 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.17 139.77 8.13 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.601 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 27.7 m -131.01 134.84 61.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.981 0.419 . . . . 0.0 110.352 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' C' ' 30' ' ' ALA . 4.1 p -126.26 126.29 69.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.455 176.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 48.3 mt -107.67 109.22 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.055 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.329 -0.844 . . . . 0.0 110.081 -179.715 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.3 p90 . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -134.3 130.02 36.42 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.1 p -98.31 138.84 21.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.051 0.453 . . . . 0.0 110.602 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -127.58 135.64 50.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -147.96 136.03 21.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.857 0.36 . . . . 0.0 110.233 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -147.86 133.13 18.44 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -138.02 140.01 39.9 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 17' ' ' LEU . 1.9 pt? -152.36 149.74 28.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.234 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -125.31 141.72 44.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.456 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -126.78 129.59 48.63 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -125.71 130.16 50.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.239 0.542 . . . . 0.0 110.982 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.425 179.748 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.834 0 N-CA-C 112.206 -0.358 . . . . 0.0 112.206 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.76 131.87 36.08 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.767 0.317 . . . . 0.0 110.52 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 tt -131.58 139.06 51.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.362 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 tt -131.53 133.33 61.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.479 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.408 ' O ' ' HA2' ' B' ' 37' ' ' GLY . . . -118.08 132.5 9.86 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.2 tp -123.97 128.54 49.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.822 0.344 . . . . 0.0 110.655 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.1 mtm -130.92 120.93 24.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.821 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -123.12 131.7 72.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.905 0.384 . . . . 0.0 110.571 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.99 131.13 5.72 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 177.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.93 154.28 25.52 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.845 -176.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -133.66 127.2 52.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.491 HG23 HG12 ' B' ' 31' ' ' ILE . 4.1 p -116.14 125.55 73.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.985 0.421 . . . . 0.0 110.629 177.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 C--N 1.323 -0.544 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.069 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.645 0.26 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.491 HG12 HG23 ' A' ' 40' ' ' VAL . 78.0 mt -127.41 125.11 65.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.406 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.452 HD13 ' N ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -134.86 130.45 52.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.662 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.452 ' N ' HD13 ' B' ' 32' ' ' ILE . . . -138.63 130.63 5.0 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.959 178.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.7 tp -112.43 126.23 55.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.813 0.34 . . . . 0.0 110.319 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 59.2 mtt -115.03 121.11 42.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.94 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.5 t -123.92 126.56 72.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.125 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 33' ' ' GLY . . . -140.95 136.41 7.54 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.91 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.57 139.86 11.84 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.027 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -118.42 130.8 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.036 0.446 . . . . 0.0 110.566 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 73.2 t -125.78 114.44 39.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.877 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 55.1 mt -116.64 109.49 28.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.674 -178.001 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 24.4 p90 . . . . . 0 N--CA 1.448 -0.535 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -133.77 130.19 37.68 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 p -98.52 138.96 21.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.963 0.411 . . . . 0.0 110.48 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -127.46 136.23 51.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -148.7 135.82 20.11 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.818 0.342 . . . . 0.0 110.213 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -147.95 133.01 18.22 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -137.51 140.56 41.2 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -152.63 149.94 28.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.225 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -125.69 141.3 45.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.082 0.467 . . . . 0.0 110.52 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -126.5 129.4 48.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.818 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 21.8 p90 . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 121.027 0.442 . . . . 0.0 110.886 -178.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.795 0 N-CA-C 112.24 -0.344 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.88 131.61 35.47 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.655 0.264 . . . . 0.0 110.49 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 tt -131.3 139.14 51.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 120.911 0.386 . . . . 0.0 110.313 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 tt -131.7 133.29 61.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.454 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.417 ' O ' ' HA2' ' D' ' 37' ' ' GLY . . . -118.06 132.43 9.83 Favored Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 176.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 61.4 tp -123.83 128.39 49.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.847 0.356 . . . . 0.0 110.732 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 53.6 mtm -131.02 120.92 24.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.74 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -122.92 132.0 72.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.783 0.325 . . . . 0.0 110.517 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.48 130.91 5.57 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.75 154.24 25.45 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.874 -176.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 45.2 t -133.69 126.98 52.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.497 HG23 HG12 ' D' ' 31' ' ' ILE . 4.2 p -115.83 125.65 73.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.988 0.423 . . . . 0.0 110.747 177.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.61 0.243 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 77.8 mt -127.51 125.25 65.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.275 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.446 HD13 ' N ' ' D' ' 33' ' ' GLY . 0.0 OUTLIER -134.98 130.49 52.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.552 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.446 ' N ' HD13 ' D' ' 32' ' ' ILE . . . -138.36 130.53 5.0 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.075 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 57.2 tp -112.38 126.37 55.21 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.757 0.313 . . . . 0.0 110.247 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 58.7 mtt -114.93 121.03 41.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.057 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.9 126.82 73.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.094 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' C' ' 33' ' ' GLY . . . -141.48 136.28 7.34 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.967 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.17 140.01 12.03 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.025 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.53 130.86 72.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.037 0.446 . . . . 0.0 110.664 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 69.5 t -125.76 114.32 38.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.958 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.475 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 55.4 mt -116.55 109.34 27.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.682 -0.675 . . . . 0.0 109.622 -177.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.5 p90 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.75 0.309 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -131.33 144.35 51.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.402 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -126.89 130.79 71.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.075 0.464 . . . . 0.0 110.808 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -142.49 146.17 34.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.758 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -140.72 161.92 36.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.864 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -152.77 143.55 22.86 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -139.26 137.46 35.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.019 0.437 . . . . 0.0 110.79 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -134.77 134.3 40.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.0 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.2 m -125.39 135.68 63.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.07 0.462 . . . . 0.0 110.538 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.405 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 64.0 m-85 -131.76 135.3 46.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.973 -178.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -134.71 129.97 35.55 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.724 0.297 . . . . 0.0 110.299 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.484 177.02 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 CA-C-O 120.816 0.12 . . . . 0.0 113.2 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.33 140.21 33.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.77 0.319 . . . . 0.0 110.786 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.06 133.84 68.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.431 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.405 ' HB ' ' HB2' ' A' ' 19' ' ' PHE . 55.0 mt -124.86 138.84 52.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.325 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.28 128.42 4.34 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.789 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.6 tp -120.94 123.15 41.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.752 0.31 . . . . 0.0 110.319 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.5 mmt -119.82 123.77 44.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.956 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.492 HG13 ' HG2' ' B' ' 35' ' ' MET . 63.9 t -121.11 137.19 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.928 -178.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.26 134.29 6.44 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.13 142.57 12.65 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.917 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.7 t -128.68 128.75 68.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.472 HG13 HG12 ' B' ' 31' ' ' ILE . 58.7 t -114.0 122.61 68.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.182 179.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.7 pt . . . . . 0 C--N 1.323 -0.587 0 CA-C-O 120.712 0.292 . . . . 0.0 110.493 178.062 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 121.038 0.447 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.472 HG12 HG13 ' A' ' 40' ' ' VAL . 75.1 mt -115.55 114.63 46.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.32 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.42 128.15 62.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 177.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.59 130.2 6.08 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.846 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 67.4 tp -121.16 127.09 51.2 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.492 ' HG2' HG13 ' A' ' 36' ' ' VAL . 60.0 mtt -124.3 120.72 33.0 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.817 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -120.88 128.11 76.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.082 0.467 . . . . 0.0 110.27 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.9 135.34 8.2 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.564 -0.826 . . . . 0.0 111.972 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.59 142.92 13.98 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.582 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 p -136.37 132.12 48.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.087 0.47 . . . . 0.0 110.808 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 49.7 t -118.21 113.65 42.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 55.7 mt -107.56 114.26 45.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.017 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.733 -0.651 . . . . 0.0 109.606 179.187 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 26.5 p90 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.909 0.385 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -131.12 144.27 51.27 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.443 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 17.6 m -126.63 131.4 71.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.003 0.43 . . . . 0.0 110.637 -177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -142.87 146.21 33.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.701 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -140.8 161.86 36.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.953 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -152.75 143.45 22.8 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -139.13 137.69 36.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.931 0.396 . . . . 0.0 110.81 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -135.15 133.7 39.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.001 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 m -124.57 136.33 60.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.094 0.473 . . . . 0.0 110.512 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -132.19 135.39 46.3 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.986 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 82.8 t80 . . . . . 0 C--N 1.321 -0.641 0 CA-C-O 120.782 0.325 . . . . 0.0 110.396 177.366 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 120.879 0.155 . . . . 0.0 113.161 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.97 140.45 34.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.696 0.284 . . . . 0.0 110.851 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.32 133.57 68.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.552 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.415 HG12 HG23 ' D' ' 39' ' ' VAL . 55.0 mt -124.63 138.92 52.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.402 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.38 128.1 4.21 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.713 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 59.8 tp -120.69 123.17 42.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.668 0.27 . . . . 0.0 110.422 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 23.6 mmt -120.04 123.3 43.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.031 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.491 HG13 ' HG2' ' D' ' 35' ' ' MET . 62.9 t -120.63 137.38 54.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.011 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.46 134.67 6.6 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.35 142.43 12.43 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.854 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.49 128.65 68.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.481 HG13 HG12 ' D' ' 31' ' ' ILE . 58.8 t -113.82 122.76 68.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.191 178.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 25.2 pt . . . . . 0 C--N 1.321 -0.655 0 CA-C-O 120.665 0.269 . . . . 0.0 110.545 178.018 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 121.103 0.477 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.481 HG12 HG13 ' C' ' 40' ' ' VAL . 76.4 mt -115.79 114.64 46.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.226 178.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.5 128.07 62.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 177.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.55 129.98 6.01 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.956 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 66.6 tp -120.92 126.75 50.8 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.834 0.349 . . . . 0.0 110.23 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.491 ' HG2' HG13 ' C' ' 36' ' ' VAL . 60.1 mtt -123.83 120.97 34.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.818 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 m -121.03 127.81 75.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.969 0.414 . . . . 0.0 110.278 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.76 135.44 8.27 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.938 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.02 143.36 14.33 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.495 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.415 HG23 HG12 ' C' ' 32' ' ' ILE . 6.8 p -136.7 132.1 47.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.145 0.497 . . . . 0.0 110.853 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 50.7 t -118.2 113.45 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt -107.61 114.47 46.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.977 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.701 -0.666 . . . . 0.0 109.519 179.473 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.5 p90 . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 120.693 0.282 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -110.17 138.88 45.94 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.437 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.1 t -112.98 113.78 45.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -114.38 137.18 52.14 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -152.19 144.23 23.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.879 0.371 . . . . 0.0 111.013 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -146.1 150.54 36.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.206 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -136.01 126.69 27.21 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -122.93 125.97 46.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.175 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.9 t -128.04 122.71 58.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -111.96 136.61 51.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.066 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.61 121.53 45.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.705 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.963 176.577 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.7 131.01 19.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.087 0.47 . . . . 0.0 111.325 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.7 tt -125.32 132.37 71.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.614 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 tt -134.37 127.11 50.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.988 0.423 . . . . 0.0 110.967 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.2 135.62 8.72 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 tp -135.29 125.99 27.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.761 0.315 . . . . 0.0 110.267 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.6 ttt -121.1 132.74 55.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.287 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -123.12 131.39 73.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.997 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.47 130.78 5.96 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.39 155.26 25.11 Favored Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.063 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.62 129.27 75.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -105.21 110.18 30.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.849 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.6 mt . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.087 -178.832 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 64.1 mt -117.56 112.88 40.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.849 0.357 . . . . 0.0 110.736 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -111.78 154.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.13 131.63 3.77 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.229 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 75.9 mt -107.57 126.17 52.21 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 61.1 mtm -113.23 121.57 44.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.483 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 57.8 t -132.71 126.87 55.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.097 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.29 167.96 29.02 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.769 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.45 142.23 9.16 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.189 -0.529 . . . . 0.0 111.995 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.64 131.19 73.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 82.6 t -125.43 113.82 36.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 176.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 65.0 mt -111.8 109.47 28.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.04 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.473 -0.775 . . . . 0.0 109.792 -177.529 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 45.4 p90 . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.696 0.284 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -110.41 138.64 46.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.454 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.55 113.75 45.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -114.16 137.66 51.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.941 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -153.0 143.61 22.71 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.671 0.272 . . . . 0.0 110.891 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -145.95 150.5 36.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.059 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -135.97 126.59 27.11 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -122.81 125.85 46.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.169 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -127.9 122.62 59.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -111.9 136.55 51.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.115 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.682 -179.047 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.66 131.2 19.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.075 0.464 . . . . 0.0 111.276 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 9.5 tt -125.69 132.05 71.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.661 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 tt -134.22 126.95 50.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.167 0.508 . . . . 0.0 111.037 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.25 135.71 8.75 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.619 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 58.9 tp -135.23 125.89 27.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.623 0.249 . . . . 0.0 110.345 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 26.7 ttt -121.01 132.96 55.22 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.289 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -123.39 131.34 73.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.04 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.41 130.61 5.92 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.23 155.25 25.03 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.977 -176.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.37 129.39 75.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.49 109.86 29.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.83 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 59.7 mt . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.099 -179.035 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 63.4 mt -117.53 112.67 39.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.945 0.402 . . . . 0.0 110.83 -175.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -111.62 155.02 13.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.28 131.46 3.69 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.243 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 76.6 mt -107.51 126.35 52.42 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.9 mtm -113.39 121.53 44.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.478 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.59 126.69 55.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.11 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.93 167.75 28.82 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.882 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.13 142.53 9.47 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.942 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 26.1 t -123.94 131.23 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 81.4 t -125.4 113.88 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.694 0.283 . . . . 0.0 110.278 176.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 64.6 mt -111.64 109.58 29.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.094 177.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.669 -177.572 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.433 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 44.1 p90 . . . . . 0 N--CA 1.451 -0.402 0 CA-C-O 121.097 0.475 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -138.93 144.94 39.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.715 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.8 m -107.25 134.46 48.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.308 0.575 . . . . 0.0 110.935 -176.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -130.31 145.78 51.82 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.454 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -154.93 148.61 25.42 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.97 0.414 . . . . 0.0 111.113 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -133.2 134.04 43.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.398 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -139.87 137.13 34.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.864 0.364 . . . . 0.0 110.957 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.7 mt -137.28 121.42 17.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.976 177.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -112.81 116.82 53.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -119.46 133.61 55.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.249 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -133.75 128.83 35.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.918 0.389 . . . . 0.0 110.237 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.34 -178.73 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.65 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.53 130.43 47.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.934 0.397 . . . . 0.0 111.166 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.1 tt -122.57 130.36 74.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.235 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.4 mt -122.53 121.61 64.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.502 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.87 128.18 7.78 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 176.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.9 tp -137.01 125.02 22.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.793 0.297 . . . . 0.0 110.476 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.6 ptp -143.98 141.18 30.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.721 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.08 136.36 33.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.506 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.58 135.65 10.64 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.817 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.74 141.33 12.67 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.509 -0.636 . . . . 0.0 111.509 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -129.01 131.72 67.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 117.049 0.424 . . . . 0.0 110.957 -176.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 59.9 t -91.96 110.8 23.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 174.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--N 1.324 -0.518 0 CA-C-O 120.689 0.28 . . . . 0.0 111.523 -174.104 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.872 0.368 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.518 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 38.0 mm -119.69 112.34 36.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.828 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -116.36 155.02 17.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.89 138.02 5.93 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.841 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.02 125.95 34.65 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 51.0 ttm -115.81 132.81 56.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.006 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.6 t -125.09 127.12 72.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.596 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.59 146.35 18.3 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.948 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.2 139.77 7.91 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.264 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -129.57 130.06 66.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 47.6 t -125.96 117.45 48.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.506 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 54.8 mt -116.64 123.11 71.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.959 177.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.778 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.942 -179.589 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' C' ' 40' ' ' VAL . 43.7 p90 . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 120.981 0.42 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -138.89 144.99 39.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.822 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 23.5 m -107.26 134.21 49.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.315 0.578 . . . . 0.0 111.009 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -130.03 146.71 51.72 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -155.7 148.52 24.23 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.802 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -133.5 134.06 42.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.529 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -139.69 136.92 34.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.807 0.337 . . . . 0.0 110.938 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 95.8 mt -137.16 121.18 17.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.018 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 60.7 t -112.66 117.02 54.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -119.6 133.62 55.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.239 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 p90 . . . . . 0 C--N 1.319 -0.72 0 CA-C-O 121.107 0.479 . . . . 0.0 110.313 178.031 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.0 130.65 48.67 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.921 0.391 . . . . 0.0 111.138 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 12.2 tt -122.73 130.15 74.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.121 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 73.5 mt -122.43 121.85 64.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.422 -177.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 127.96 7.63 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 61.9 tp -136.81 125.08 23.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.737 0.303 . . . . 0.0 110.439 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 23.5 ptp -143.92 141.15 30.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.753 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 7.7 p -141.22 136.46 33.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.377 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.76 135.8 10.66 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.795 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.95 141.47 12.81 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 47.7 t -129.09 131.66 67.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' C' ' 10' ' ' TYR . 60.3 t -91.94 110.93 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 174.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 60.6 mt . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 120.475 0.179 . . . . 0.0 111.376 -174.193 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.237 0 CA-C-O 120.699 0.285 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.506 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 38.3 mm -119.94 112.26 36.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.868 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -116.3 155.21 17.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.758 0.313 . . . . 0.0 111.05 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.13 138.01 5.89 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.112 -0.566 . . . . 0.0 111.842 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.15 126.12 34.83 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 50.6 ttm -115.95 132.94 56.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 46.9 t -125.31 126.88 71.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.672 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.39 146.46 18.37 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.725 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.37 139.46 7.66 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.208 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -129.34 130.18 67.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -125.9 117.43 48.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.518 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 54.7 mt -116.59 123.28 71.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.011 177.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.016 -179.338 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.7 p90 . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -135.07 134.62 40.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.98 -178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 p -94.88 136.89 24.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.279 0.561 . . . . 0.0 111.02 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -125.03 152.38 44.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.181 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -144.95 149.05 34.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.83 0.348 . . . . 0.0 110.732 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -143.09 132.08 22.94 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -132.17 138.95 48.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.901 0.382 . . . . 0.0 110.456 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.8 mt -134.31 128.16 33.21 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.67 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.8 m -122.11 132.0 71.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.968 0.413 . . . . 0.0 110.918 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.465 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 62.4 m-85 -123.55 131.07 53.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.854 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -124.0 111.34 15.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.132 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.866 -178.729 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.803 0 N-CA-C 112.342 -0.303 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.32 128.97 56.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.886 0.374 . . . . 0.0 110.134 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 59.8 mt -129.98 120.36 49.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.144 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.465 ' HB ' ' HB2' ' A' ' 19' ' ' PHE . 70.7 mt -117.8 123.31 71.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.197 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.18 127.23 6.56 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.643 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.4 mt -124.39 126.04 45.3 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtt -132.19 117.95 18.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.997 0.427 . . . . 0.0 110.827 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -116.36 131.77 67.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.475 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.81 130.8 7.56 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.29 164.53 26.22 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.369 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.6 t -138.66 127.27 29.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.751 0.31 . . . . 0.0 110.346 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 p -97.17 113.2 30.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.304 0.573 . . . . 0.0 109.822 174.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.0 mt . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.02 -178.389 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 66.7 mt -120.36 113.03 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -117.07 155.75 18.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.929 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.37 130.45 3.08 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.005 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 62.7 tp -107.11 127.38 53.44 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 63.2 mtt -111.16 122.05 46.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.54 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 64.5 t -127.38 126.25 67.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 175.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . 0.449 ' O ' HD12 ' D' ' 34' ' ' LEU . . . -141.34 154.33 24.54 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.092 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.65 139.46 9.71 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.858 -0.686 . . . . 0.0 111.833 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 60.1 t -123.65 129.57 74.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.49 113.74 34.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.696 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 59.5 mt -116.85 109.16 26.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.71 0.291 . . . . 0.0 110.239 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.785 178.621 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 22.0 p90 . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -135.45 135.07 40.24 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.875 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 12.1 p -95.49 136.83 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.293 0.568 . . . . 0.0 110.951 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -125.06 153.11 43.4 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.059 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -146.0 148.67 32.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.936 0.398 . . . . 0.0 110.7 177.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -142.84 132.12 23.37 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -132.11 138.66 48.18 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.76 0.314 . . . . 0.0 110.484 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -133.93 128.31 34.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.774 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 15.8 m -122.13 132.03 71.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.977 0.418 . . . . 0.0 110.955 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.477 ' HB2' ' HB ' ' C' ' 32' ' ' ILE . 61.5 m-85 -123.62 130.81 53.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.945 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.218 -179.376 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.824 0 N-CA-C 112.34 -0.304 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.39 128.83 56.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.927 0.394 . . . . 0.0 110.175 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 60.0 mt -130.01 120.3 49.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.168 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.477 ' HB ' ' HB2' ' C' ' 19' ' ' PHE . 70.0 mt -117.75 123.11 71.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.223 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.23 126.97 6.45 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.665 -0.778 . . . . 0.0 111.643 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 69.1 mt -124.14 126.57 46.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtt -133.04 117.49 17.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.014 0.435 . . . . 0.0 110.888 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 41.6 t -115.96 131.92 67.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.378 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.81 130.46 7.43 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 175.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.99 164.57 26.11 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.31 -0.947 . . . . 0.0 112.414 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 62.4 t -138.52 127.49 31.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.684 0.278 . . . . 0.0 110.307 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 p -97.28 112.99 30.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.291 0.567 . . . . 0.0 109.895 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 52.7 mt . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.109 -178.295 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.736 0.303 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 67.4 mt -120.68 112.76 37.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 176.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -116.89 155.82 18.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.988 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.06 130.64 3.16 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.11 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.449 HD12 ' O ' ' B' ' 37' ' ' GLY . 63.1 tp -107.21 127.58 53.65 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 63.3 mtt -111.16 122.24 47.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.485 -177.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 66.3 t -127.93 125.85 65.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.97 154.72 24.6 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.229 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.9 139.65 9.8 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.973 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 58.0 t -123.65 129.42 74.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 62.1 t -126.23 113.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.792 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 59.7 mt -116.65 109.14 26.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.703 0.287 . . . . 0.0 110.288 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.238 -0.886 . . . . 0.0 109.915 178.756 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.1 p90 . . . . . 0 N--CA 1.451 -0.384 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -105.62 149.02 26.69 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 m -116.59 133.88 61.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.222 0.534 . . . . 0.0 111.061 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -116.55 134.59 54.66 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.498 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 50.2 t60 -164.62 136.46 4.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -157.03 137.83 13.32 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.975 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -126.04 126.94 45.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -134.15 136.85 44.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.769 0.319 . . . . 0.0 111.174 -174.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.0 t -131.21 119.27 43.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.573 176.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -113.23 141.54 46.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.043 0.449 . . . . 0.0 110.9 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -94.69 127.67 40.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.583 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.904 -179.017 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.55 129.35 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.972 0.415 . . . . 0.0 110.559 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -124.11 123.9 67.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.893 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.447 HG22 HG13 ' B' ' 39' ' ' VAL . 32.8 pt -112.32 122.51 66.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.047 0.451 . . . . 0.0 110.453 177.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.41 129.11 7.02 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.869 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -133.95 139.56 46.19 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ptm -141.65 136.87 31.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.855 0.36 . . . . 0.0 110.703 176.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 14' ' ' HIS . 60.8 t -130.36 139.68 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.416 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.08 134.47 6.17 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.81 164.67 31.33 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.47 -0.871 . . . . 0.0 113.084 -177.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.36 130.47 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 122.615 0.366 . . . . 0.0 110.242 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.17 106.55 20.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.067 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 56.2 mt . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.526 -178.536 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 CA-C-O 121.056 0.455 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 65.8 mt -127.98 112.69 28.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.741 176.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.19 131.32 72.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.38 131.25 4.95 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.815 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.5 mt -115.38 143.93 44.55 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ptm -135.83 139.02 43.12 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.088 0.47 . . . . 0.0 110.889 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 11.9 p -149.15 147.16 16.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.899 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.77 176.7 41.18 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.273 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.83 147.0 16.3 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.159 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.447 HG13 HG22 ' A' ' 32' ' ' ILE . 58.3 t -122.86 129.85 74.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -125.54 115.77 44.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.132 0.492 . . . . 0.0 110.642 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 52.9 mt -117.68 123.0 71.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.477 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.322 -0.847 . . . . 0.0 109.907 176.855 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 53.3 p90 . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -105.41 149.15 26.38 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 m -116.51 134.08 61.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.186 0.517 . . . . 0.0 111.075 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -116.57 134.68 54.55 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . 0.486 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 50.1 t60 -164.57 136.49 4.53 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -157.01 137.84 13.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.036 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -126.1 126.68 44.58 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -133.77 137.2 45.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.774 0.321 . . . . 0.0 111.255 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 91.6 t -131.64 118.84 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.738 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -112.91 141.7 46.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.145 0.498 . . . . 0.0 110.901 -177.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 p90 . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.509 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.58 129.37 51.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 110.456 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -124.13 123.74 67.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.459 HG22 HG13 ' D' ' 39' ' ' VAL . 32.3 pt -112.4 122.52 66.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.023 0.44 . . . . 0.0 110.428 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.39 129.55 7.19 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.798 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.4 HD23 ' HA3' ' D' ' 37' ' ' GLY . 70.7 mt -134.28 139.64 45.87 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -177.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ptm -141.66 137.03 31.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.487 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' C' ' 14' ' ' HIS . 60.1 t -130.46 139.54 51.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.344 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.7 135.0 6.51 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 177.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.52 164.44 31.59 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.232 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 57.4 t -125.88 130.56 72.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 122.519 0.328 . . . . 0.0 110.299 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 58.9 t -110.05 106.51 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.178 179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 55.6 mt . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.527 -178.703 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.466 0 CA-C-O 121.023 0.439 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 65.9 mt -128.12 112.74 27.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.668 176.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.24 131.51 71.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.52 131.34 4.96 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.951 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -115.56 143.61 45.08 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ptm -135.58 139.15 43.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 11.9 p -149.19 146.92 16.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.944 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.4 ' HA3' HD23 ' C' ' 34' ' ' LEU . . . -165.69 177.04 41.06 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.377 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.08 146.95 16.16 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.207 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.459 HG13 HG22 ' C' ' 32' ' ' ILE . 58.5 t -122.91 129.88 74.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 m -125.66 115.64 43.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.073 0.463 . . . . 0.0 110.663 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 52.8 mt -117.73 123.19 71.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.497 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.973 176.861 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 p90 . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 120.782 0.325 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -145.19 136.83 25.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.511 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.44 HG12 HG22 ' A' ' 39' ' ' VAL . 18.2 m -98.06 152.32 4.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -135.0 147.53 49.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.627 0.251 . . . . 0.0 110.608 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -154.96 141.26 18.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.547 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -154.95 154.58 32.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.102 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -141.77 140.66 33.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.251 179.459 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.6 mt -134.29 135.42 42.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.029 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -124.88 125.24 69.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.868 0.366 . . . . 0.0 110.613 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.483 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 68.6 m-85 -115.04 142.38 46.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.67 177.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -134.74 133.31 39.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.317 -175.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.314 -177.66 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.672 0 N-CA-C 112.318 -0.313 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.3 129.47 56.27 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.826 0.346 . . . . 0.0 110.621 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.7 mt -115.36 117.99 57.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.849 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.483 ' HB ' ' HB2' ' A' ' 19' ' ' PHE . 50.7 mt -113.01 115.04 48.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.106 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.8 128.14 7.88 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.27 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -121.23 127.14 51.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.692 0.282 . . . . 0.0 110.283 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 85.1 mtp -123.8 120.95 34.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.404 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -119.28 134.01 64.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.767 0.318 . . . . 0.0 110.693 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.91 137.63 6.18 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.22 171.29 38.07 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.116 -1.04 . . . . 0.0 112.835 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.44 HG22 HG12 ' A' ' 12' ' ' VAL . 47.1 t -127.31 128.3 70.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -178.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t -112.39 109.45 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.328 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.445 HD12 ' HB3' ' B' ' 30' ' ' ALA . 41.3 mt . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.954 177.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.445 ' HB3' HD12 ' A' ' 41' ' ' ILE . . . . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 120.853 0.358 . . . . 0.0 110.744 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.549 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 48.3 mm -119.58 112.76 38.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.34 133.86 49.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.944 0.402 . . . . 0.0 110.386 -178.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.55 132.92 5.34 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.965 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -118.79 132.04 56.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.81 0.338 . . . . 0.0 110.285 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ttt -128.43 121.92 30.11 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 50.9 t -109.21 126.33 66.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.12 135.64 8.93 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.471 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.66 139.95 10.11 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.373 -0.918 . . . . 0.0 112.297 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 27.0 m -121.82 131.23 73.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.105 0.478 . . . . 0.0 110.699 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -124.72 113.6 36.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.642 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 70.6 mt -113.93 110.58 32.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.387 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.775 179.143 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 42.8 p90 . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.952 0.405 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -146.0 136.4 23.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.499 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.436 HG12 HG22 ' C' ' 39' ' ' VAL . 17.5 m -97.25 152.34 4.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.373 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -135.16 147.26 49.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.605 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -154.57 141.61 19.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.52 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -155.16 154.58 32.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.124 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' C' ' 16' ' ' LYS . 0.0 OUTLIER -141.76 140.37 33.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.483 179.456 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 91.1 mt -134.08 135.48 43.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.913 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -125.07 125.69 69.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.883 0.373 . . . . 0.0 110.422 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.478 ' HB2' ' HB ' ' C' ' 32' ' ' ILE . 68.9 m-85 -115.59 142.39 46.8 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 177.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 58.4 t80 . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.276 -175.757 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 112.197 -0.361 . . . . 0.0 112.197 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.19 129.59 56.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.897 0.379 . . . . 0.0 110.649 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 47.1 mt -115.42 117.68 56.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.901 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.478 ' HB ' ' HB2' ' C' ' 19' ' ' PHE . 51.1 mt -112.85 115.13 48.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.044 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.91 128.24 7.92 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.372 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -121.45 126.79 50.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.683 0.278 . . . . 0.0 110.37 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 85.9 mtp -123.54 121.04 34.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.423 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -119.38 134.05 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.734 0.302 . . . . 0.0 110.642 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.74 137.49 6.12 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.15 171.29 38.01 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.803 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.436 HG22 HG12 ' C' ' 12' ' ' VAL . 46.9 t -127.18 128.51 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 88.7 t -112.63 109.51 28.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.266 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.449 HD12 ' HB3' ' D' ' 30' ' ' ALA . 41.1 mt . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.027 177.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.449 ' HB3' HD12 ' C' ' 41' ' ' ILE . . . . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 120.767 0.318 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 mm -119.71 112.8 38.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.56 133.76 49.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.939 0.4 . . . . 0.0 110.376 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.52 133.16 5.46 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.754 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 89.5 mt -119.16 131.98 55.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.862 0.363 . . . . 0.0 110.175 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ttt -128.38 121.91 30.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 51.0 t -109.09 126.24 66.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.07 135.54 8.88 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.375 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.67 139.79 9.97 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.353 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -121.77 131.31 73.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.06 0.457 . . . . 0.0 110.596 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -124.8 113.54 36.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.768 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.549 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 70.3 mt -113.99 110.74 33.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.487 -0.768 . . . . 0.0 109.839 179.097 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.1 p90 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -113.42 145.23 41.48 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -124.8 113.89 38.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.16 0.505 . . . . 0.0 110.486 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -117.93 134.3 55.09 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -151.23 136.8 17.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.93 0.395 . . . . 0.0 110.851 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -138.63 172.99 12.06 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.71 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -146.75 157.72 43.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.909 0.385 . . . . 0.0 110.221 177.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.8 tp -139.57 132.4 29.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.863 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 p -134.22 124.74 46.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.014 0.435 . . . . 0.0 109.971 177.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -132.1 130.51 41.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.391 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -111.41 129.59 55.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.204 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.738 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 177.092 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.745 0 N-CA-C 111.685 -0.566 . . . . 0.0 111.685 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.47 129.27 56.09 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.003 0.43 . . . . 0.0 110.891 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.3 mt -112.93 115.44 49.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.176 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 32' ' ' ILE . 3.5 mp -102.85 115.07 44.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.36 135.42 10.93 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.105 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 tp -143.34 143.24 31.58 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ttt -145.25 122.88 11.79 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 175.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.1 t -124.51 136.36 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.922 0.392 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.51 133.9 6.82 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.41 138.41 10.48 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.456 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.8 t -113.76 122.26 67.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.4 t -109.01 109.5 28.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--N 1.324 -0.543 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.052 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.149 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.407 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 68.4 mt -124.77 120.98 60.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.8 0.334 . . . . 0.0 110.494 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.33 131.16 69.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.117 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.59 131.05 6.35 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.028 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.0 mt -107.57 135.73 48.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.817 0.341 . . . . 0.0 110.145 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 67.9 mtm -124.58 121.22 34.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.168 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -124.85 135.37 64.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.09 176.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.78 165.94 31.73 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.34 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.18 141.44 6.9 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.695 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.3 130.19 74.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -122.06 115.27 45.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.899 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.419 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 53.2 mt -108.6 108.98 26.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.006 178.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.913 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 46.9 p90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -113.49 145.28 41.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -124.57 113.52 36.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.964 0.411 . . . . 0.0 110.572 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -117.41 134.63 54.62 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -151.61 136.87 17.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.812 0.339 . . . . 0.0 110.803 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -138.67 173.46 11.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.706 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -147.16 157.66 43.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.823 0.344 . . . . 0.0 110.187 177.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 tp -139.58 132.64 29.55 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.817 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 p -134.58 124.41 44.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.236 0.541 . . . . 0.0 110.117 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -131.85 130.58 41.89 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.411 -177.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 90.3 t80 . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.064 177.37 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.726 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.56 129.25 56.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.001 0.429 . . . . 0.0 110.878 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 84.1 mt -113.01 115.51 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.215 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.414 ' N ' HD12 ' C' ' 32' ' ' ILE . 3.5 mp -102.78 114.96 43.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.3 135.4 10.94 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.068 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 tp -143.33 143.34 31.64 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ttt -145.32 122.81 11.7 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 175.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.62 136.12 61.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.822 0.344 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.54 133.5 6.59 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.38 138.7 10.87 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.464 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 44.9 t -114.2 122.33 68.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 61.7 t -109.04 109.49 28.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.994 -177.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . 0.403 HD12 ' N ' ' C' ' 41' ' ' ILE . 3.9 mp . . . . . 0 C--N 1.322 -0.595 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.148 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.419 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 68.4 mt -124.77 121.18 60.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.695 0.283 . . . . 0.0 110.453 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.63 130.96 69.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.009 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.37 131.06 6.4 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.192 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -107.52 135.78 48.4 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtm -124.57 121.22 34.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.204 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 28.5 m -124.89 135.32 64.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 176.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.02 165.81 31.81 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.361 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.98 141.29 6.82 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.694 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -120.4 129.99 74.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 59.2 t -121.85 115.52 46.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.94 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.407 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 53.9 mt -108.8 109.32 27.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.559 -0.734 . . . . 0.0 110.127 179.884 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.519 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 47.5 p90 . . . . . 0 N--CA 1.447 -0.588 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -133.19 129.22 37.49 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.061 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.8 m -103.73 122.5 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.311 0.577 . . . . 0.0 110.604 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -115.48 135.78 53.75 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.135 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -142.16 136.08 29.62 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.091 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -140.75 143.35 34.9 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.073 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -140.19 128.4 22.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.076 0.465 . . . . 0.0 110.721 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.8 mt -130.49 127.76 39.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.985 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.6 t -128.01 121.99 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.995 0.426 . . . . 0.0 110.274 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -124.37 139.61 53.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.99 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -127.87 140.04 52.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.932 0.396 . . . . 0.0 111.045 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.733 176.755 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.21 134.84 33.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.828 0.347 . . . . 0.0 110.447 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tt -125.15 130.67 73.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.206 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.4 pt -118.6 132.37 68.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.881 -177.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.61 127.56 6.04 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.399 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.5 mt -126.98 135.54 51.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.8 ttm -139.81 126.59 20.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.14 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.6 t -124.76 133.8 68.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.469 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.83 130.16 6.2 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.6 149.72 20.48 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.131 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.5 t -125.26 120.12 57.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.851 0.358 . . . . 0.0 110.246 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 61.4 t -94.6 106.33 18.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.631 176.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.4 mt . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.545 -177.126 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.131 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 61.1 mt -122.6 122.49 66.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.783 0.325 . . . . 0.0 110.472 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pp -117.41 153.08 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.526 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.52 130.09 3.82 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.081 -0.581 . . . . 0.0 111.846 176.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -111.41 125.35 53.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 63.3 mtm -119.22 122.42 41.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.436 -176.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 13.8 p -132.25 141.34 45.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.907 0.384 . . . . 0.0 110.244 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.19 151.54 23.13 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.195 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.07 147.06 19.02 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.855 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 p -139.45 130.18 32.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.941 0.401 . . . . 0.0 110.796 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -127.53 125.04 64.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.156 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 12.9 tt -117.71 124.49 73.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.972 0.415 . . . . 0.0 110.735 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.707 179.341 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.516 ' HA ' ' O ' ' C' ' 40' ' ' VAL . 47.9 p90 . . . . . 0 N--CA 1.448 -0.531 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -133.19 129.36 37.69 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 m -103.72 122.11 56.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.465 0.65 . . . . 0.0 110.804 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -114.98 135.77 53.85 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.179 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -142.15 136.62 30.2 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.987 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -141.15 143.5 34.29 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.115 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -140.52 128.09 21.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 88.4 mt -130.25 127.82 40.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.998 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -128.37 121.7 56.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.287 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -124.1 139.62 53.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.982 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 p90 . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 121.216 0.531 . . . . 0.0 111.241 179.652 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.785 0 N-CA-C 112.587 -0.205 . . . . 0.0 112.587 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.83 134.78 33.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.747 0.308 . . . . 0.0 110.369 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tt -124.91 130.74 73.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.144 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 24.0 pt -118.7 132.35 68.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.828 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.47 127.4 6.02 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.535 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -126.72 135.43 51.1 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 49.6 ttm -139.66 126.59 20.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.865 0.364 . . . . 0.0 110.176 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 81.7 t -124.72 133.54 69.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.433 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.34 130.15 6.29 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.43 150.15 20.62 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.151 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -125.6 120.12 56.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.757 0.313 . . . . 0.0 110.252 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' C' ' 10' ' ' TYR . 61.3 t -94.76 106.23 17.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.617 176.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 60.9 mt . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.627 -177.082 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.608 0.242 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 61.5 mt -122.54 122.51 66.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.763 0.316 . . . . 0.0 110.568 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pp -117.41 152.94 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.509 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.28 130.34 3.94 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 121.126 -0.559 . . . . 0.0 111.892 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 92.3 mt -111.67 125.66 54.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 64.1 mtm -119.67 122.27 41.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.475 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 13.9 p -131.97 141.81 44.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.784 0.326 . . . . 0.0 110.261 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.4 152.17 23.69 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.227 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.38 147.02 18.99 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.922 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 p -139.49 130.13 32.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.993 0.425 . . . . 0.0 110.919 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 p -127.45 124.92 64.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.221 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 tt -117.68 124.28 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.088 0.471 . . . . 0.0 110.891 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.676 179.478 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.2 p90 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.763 0.316 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 39' ' ' VAL . 42.6 mt-10 -118.46 136.47 53.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.6 176.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.8 p -118.32 118.43 58.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.416 0.627 . . . . 0.0 110.146 175.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -116.65 151.87 35.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.353 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -139.32 146.57 40.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 0.0 111.072 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -138.98 134.26 32.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.56 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -131.74 128.16 38.31 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.823 0.344 . . . . 0.0 111.144 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.1 mt -125.07 130.78 52.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.019 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -136.19 117.54 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.261 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -131.93 137.95 48.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -134.7 145.17 48.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.683 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.353 178.394 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.19 137.62 32.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.829 0.347 . . . . 0.0 110.852 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.7 tt -138.29 140.15 40.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.514 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.438 HG22 HG22 ' B' ' 39' ' ' VAL . 32.3 pt -115.66 144.58 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.399 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.13 131.37 5.8 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.8 tp -133.24 131.99 40.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.703 0.287 . . . . 0.0 110.773 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.8 ttm -131.66 126.33 34.37 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.951 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.413 HG13 ' HG2' ' B' ' 35' ' ' MET . 39.8 t -115.24 138.62 44.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.137 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.26 131.36 5.52 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.83 138.79 9.67 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.653 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 11' ' ' GLU . 68.8 t -126.01 124.14 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.83 112.47 40.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.25 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.5 mt . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.547 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 69.2 mt -120.83 117.22 52.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.787 0.327 . . . . 0.0 110.5 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.53 126.05 74.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.65 130.53 5.4 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.409 HD12 ' O ' ' B' ' 34' ' ' LEU . 4.0 pp -126.04 145.74 50.19 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.114 0.483 . . . . 0.0 111.034 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.413 ' HG2' HG13 ' A' ' 36' ' ' VAL . 65.5 mtm -126.54 121.37 32.1 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.357 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.82 126.14 73.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.0 143.75 14.49 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.217 -177.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.82 140.38 10.69 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.958 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.438 HG22 HG22 ' A' ' 32' ' ' ILE . 52.7 t -127.42 130.47 70.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -125.38 125.88 69.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.195 0.521 . . . . 0.0 110.548 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mt -112.3 109.6 29.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.945 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.838 -177.339 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 37.2 p90 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' C' ' 39' ' ' VAL . 42.6 mt-10 -118.32 136.3 53.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.563 176.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 p -118.0 118.53 58.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.354 0.597 . . . . 0.0 110.066 175.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -116.68 151.73 35.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.444 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -138.81 146.97 41.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.364 . . . . 0.0 111.076 -178.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -139.27 134.14 32.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.54 177.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -131.61 128.12 38.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.893 0.378 . . . . 0.0 111.173 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 95.1 mt -125.05 131.08 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.972 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -136.55 117.52 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.171 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -132.0 138.11 48.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.07 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 41.6 p90 . . . . . 0 C--N 1.321 -0.647 0 CA-C-O 120.98 0.419 . . . . 0.0 110.848 -178.819 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.398 0 N-CA-C 112.678 -0.169 . . . . 0.0 112.678 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.99 137.61 33.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.604 -0.35 . . . . 0.0 110.732 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 8.8 tt -138.34 140.19 40.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.42 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.446 HG22 HG22 ' D' ' 39' ' ' VAL . 32.3 pt -115.67 144.69 22.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.427 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.04 131.65 5.93 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.61 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 57.5 tp -133.33 131.98 40.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.809 0.338 . . . . 0.0 110.756 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 47.2 ttm -131.79 126.27 33.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.085 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.426 HG13 ' HG2' ' D' ' 35' ' ' MET . 39.9 t -115.16 138.55 45.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.216 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.06 131.37 5.55 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.07 138.58 9.47 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.625 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' C' ' 11' ' ' GLU . 67.3 t -125.79 124.41 66.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.908 0.385 . . . . 0.0 110.136 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 79.7 t -111.1 112.48 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.222 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 25.7 mt . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.667 -179.54 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -120.74 117.28 52.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.447 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.54 125.96 74.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.56 130.39 5.37 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.41 ' O ' HD12 ' D' ' 34' ' ' LEU . 4.0 pp -126.13 145.67 50.26 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.138 0.494 . . . . 0.0 110.915 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.426 ' HG2' HG13 ' C' ' 36' ' ' VAL . 67.4 mtm -126.48 121.37 32.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.332 177.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -115.81 126.31 73.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.16 143.88 14.6 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.289 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.07 140.33 10.58 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.9 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.446 HG22 HG22 ' C' ' 32' ' ' ILE . 56.6 t -127.56 130.55 70.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 178.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 p -125.4 125.77 69.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.317 0.579 . . . . 0.0 110.589 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 49.6 mt -111.84 109.87 30.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.024 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.342 -0.837 . . . . 0.0 109.962 -177.501 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.8 t80 . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.442 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 34.7 mt-10 -142.71 150.12 39.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.957 0.408 . . . . 0.0 110.806 177.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -112.0 113.95 45.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.336 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -116.18 135.02 54.29 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -161.15 136.17 7.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.079 0.466 . . . . 0.0 110.632 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -125.83 145.01 50.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.836 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -146.79 132.8 19.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.974 0.416 . . . . 0.0 110.85 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.8 tp -143.74 120.77 11.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.317 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -117.32 127.84 74.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -136.4 139.54 42.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.077 0.465 . . . . 0.0 110.677 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -110.85 131.05 55.38 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.533 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.675 0 CA-C-O 121.043 0.449 . . . . 0.0 110.704 -179.042 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' B' ' 40' ' ' VAL . . . -117.31 129.42 55.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.345 0.593 . . . . 0.0 111.773 -175.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 mm -113.61 122.61 68.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.344 -0.844 . . . . 0.0 108.935 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.1 tt -129.45 130.54 67.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.414 0.626 . . . . 0.0 111.514 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.45 129.27 5.63 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.392 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.6 mt -120.72 127.17 51.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.787 0.327 . . . . 0.0 110.222 -178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.0 mtm -135.53 133.5 38.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.747 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.04 131.72 67.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.975 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.39 135.58 8.66 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.509 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.13 137.94 8.74 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.018 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.9 t -105.65 117.53 51.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 11' ' ' GLU . 50.4 t -107.5 105.6 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.985 -176.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.4 mt . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.232 175.032 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 62.9 mt -125.44 113.37 34.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.711 0.291 . . . . 0.0 110.407 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 pp -116.26 154.26 17.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.616 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.87 130.85 3.75 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.96 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 48.5 tp -118.54 125.17 49.27 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.915 0.388 . . . . 0.0 110.1 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.2 mtm -112.09 121.32 44.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.948 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.2 t -127.04 126.61 68.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.812 0.339 . . . . 0.0 110.227 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.56 135.51 7.64 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.51 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.63 139.42 11.12 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.428 -0.892 . . . . 0.0 112.181 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 40.0 t -128.0 130.44 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.935 0.398 . . . . 0.0 110.228 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 98.7 t -119.93 115.95 48.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.716 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 63.4 mt -112.34 109.18 27.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.929 0.395 . . . . 0.0 110.458 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.687 178.656 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 76.5 t80 . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.435 ' HB2' ' HB ' ' C' ' 40' ' ' VAL . 35.2 mt-10 -142.47 149.86 39.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.903 0.383 . . . . 0.0 111.029 177.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -111.58 114.19 46.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.321 175.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -116.44 134.63 54.64 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -160.75 136.36 8.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.126 0.489 . . . . 0.0 110.74 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -125.77 145.39 50.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.811 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -147.32 132.42 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.975 0.417 . . . . 0.0 110.85 -177.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 60.7 tp -143.72 120.7 11.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.387 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.9 t -117.01 127.84 74.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -136.41 139.64 42.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.033 0.444 . . . . 0.0 110.73 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.526 177.618 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' D' ' 40' ' ' VAL . . . -117.47 129.3 55.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.414 0.626 . . . . 0.0 111.643 -175.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 14.9 mm -113.66 122.76 68.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.786 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 tt -129.82 130.61 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.465 0.65 . . . . 0.0 111.528 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.8 128.93 5.47 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.395 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 75.7 mt -120.44 127.22 52.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.765 0.317 . . . . 0.0 110.237 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 71.4 mtm -135.47 133.55 38.64 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.594 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 59.6 t -129.14 131.74 67.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.938 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.41 135.71 8.72 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.657 -0.783 . . . . 0.0 111.272 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.42 138.0 8.71 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.193 -1.003 . . . . 0.0 113.008 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 83.3 t -105.75 117.79 52.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.435 ' HB ' ' HB2' ' C' ' 11' ' ' GLU . 50.6 t -107.57 105.66 19.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -176.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 65.9 mt . . . . . 0 C--N 1.323 -0.587 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 174.869 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.14 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 63.2 mt -125.45 113.61 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.805 0.336 . . . . 0.0 110.329 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 pp -116.4 154.56 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.638 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.11 131.55 3.99 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.871 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 48.7 tp -119.32 125.15 48.37 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.924 0.392 . . . . 0.0 110.057 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.1 mtm -112.06 121.35 44.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.023 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 46.1 t -126.87 126.66 68.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.227 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.62 135.67 7.73 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.474 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.55 139.53 11.21 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.16 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 40.5 t -128.36 130.47 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' C' ' 30' ' ' ALA . 99.1 t -120.0 115.93 48.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.724 176.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 63.2 mt -112.11 109.18 27.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.962 0.411 . . . . 0.0 110.475 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.93 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.766 178.572 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.4 p90 . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.807 0.337 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -117.68 129.86 55.99 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.54 123.98 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.587 0.708 . . . . 0.0 111.567 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -113.34 135.34 53.96 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.051 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -149.22 138.48 21.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.04 0.448 . . . . 0.0 111.279 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -137.82 145.4 42.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.6 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -121.24 153.29 37.82 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 175.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 51.2 tp -147.67 128.02 13.95 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 m -134.78 134.52 53.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.315 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.444 ' HB3' ' HB ' ' A' ' 32' ' ' ILE . 55.6 t80 -136.73 131.33 33.33 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.904 0.383 . . . . 0.0 110.021 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -126.13 126.56 44.36 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.801 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.546 0 CA-C-O 120.881 0.372 . . . . 0.0 111.138 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 112.336 -0.306 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.71 130.74 56.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.019 0.438 . . . . 0.0 111.06 -178.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' B' ' 39' ' ' VAL . 4.0 mp -107.79 113.92 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.524 176.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.444 ' HB ' ' HB3' ' A' ' 19' ' ' PHE . 3.6 mp -106.37 124.26 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.29 -179.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.46 128.08 5.08 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.631 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 17' ' ' LEU . 47.8 tp -135.48 146.02 47.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.765 0.317 . . . . 0.0 110.615 -178.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.0 ttm -142.36 132.2 24.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.081 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 66.7 t -126.45 136.04 61.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.414 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.6 133.94 6.38 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.877 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.88 139.94 10.81 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.819 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.6 t -129.14 126.64 64.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.683 0.278 . . . . 0.0 110.516 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.448 HG23 HG12 ' B' ' 31' ' ' ILE . 2.6 p -108.41 113.09 43.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.278 0.561 . . . . 0.0 110.073 176.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.6 mt . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.089 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.697 0.284 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.448 HG12 HG23 ' A' ' 40' ' ' VAL . 66.0 mt -113.11 116.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.429 HG22 HG12 ' D' ' 40' ' ' VAL . 2.1 pp -115.04 148.83 17.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.775 0.321 . . . . 0.0 110.919 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.64 129.8 4.65 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -124.24 134.49 53.24 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.685 0.279 . . . . 0.0 110.449 -177.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -133.11 121.53 22.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.374 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -138.71 132.34 40.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.954 0.407 . . . . 0.0 110.502 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.86 166.79 34.6 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.279 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.69 160.32 30.2 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.887 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 6.6 p -142.48 133.97 25.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.894 0.378 . . . . 0.0 110.326 178.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.428 HG12 HG22 ' D' ' 32' ' ' ILE . 19.6 m -121.34 127.6 75.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.352 176.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 55.4 mt -114.71 110.04 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.562 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.681 178.218 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 48.8 p90 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -117.68 129.84 55.98 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 178.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -108.45 123.99 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.604 0.716 . . . . 0.0 111.732 -177.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -113.33 135.3 54.0 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.097 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -149.03 138.76 21.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.03 0.443 . . . . 0.0 111.215 -177.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -137.86 145.41 42.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.51 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -121.01 153.3 37.53 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 51.0 tp -147.71 128.17 14.04 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 m -134.98 134.13 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.424 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.443 ' HB3' ' HB ' ' C' ' 32' ' ' ILE . 54.9 t80 -136.5 130.85 33.13 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.804 0.335 . . . . 0.0 110.132 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.82 -178.888 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.685 0 N-CA-C 112.184 -0.366 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.73 130.92 57.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.951 0.405 . . . . 0.0 111.221 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' D' ' 39' ' ' VAL . 4.0 mp -107.74 114.13 45.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.477 176.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.443 ' HB ' ' HB3' ' C' ' 19' ' ' PHE . 3.6 mp -106.67 124.28 62.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.253 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.74 127.94 4.98 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.563 176.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 48.9 tp -135.43 145.87 47.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.676 0.274 . . . . 0.0 110.526 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 51.1 ttm -142.16 132.19 24.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.979 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 65.0 t -126.38 136.26 61.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.372 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.96 134.02 6.35 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.797 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.8 140.49 11.29 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.849 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 60.8 t -129.37 126.54 63.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.732 0.301 . . . . 0.0 110.469 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.46 HG23 HG12 ' D' ' 31' ' ' ILE . 2.6 p -108.24 113.25 43.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.222 0.534 . . . . 0.0 110.113 176.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 57.4 mt . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.097 179.871 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.671 0.272 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.46 HG12 HG23 ' C' ' 40' ' ' VAL . 66.2 mt -113.12 116.68 53.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.428 HG22 HG12 ' B' ' 40' ' ' VAL . 2.1 pp -114.92 149.15 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 -178.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.06 129.84 4.6 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 174.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -124.23 134.62 53.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.612 0.244 . . . . 0.0 110.539 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 25.7 ttt -133.13 121.6 22.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.43 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -139.01 132.22 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.05 0.452 . . . . 0.0 110.427 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.81 166.86 34.59 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.263 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.94 160.42 30.36 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 121.047 -0.596 . . . . 0.0 111.808 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 6.7 p -142.63 133.74 24.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 120.945 0.402 . . . . 0.0 110.335 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.429 HG12 HG22 ' B' ' 32' ' ' ILE . 20.4 m -120.97 127.63 75.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.305 176.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 55.1 mt -114.69 110.07 30.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.61 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.889 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.512 178.362 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.3 p90 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -123.09 133.46 54.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.339 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m -106.2 143.83 16.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.686 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -144.91 135.95 24.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.269 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -159.54 138.51 10.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.045 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -142.31 154.17 44.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.124 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -141.55 149.39 40.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.916 0.389 . . . . 0.0 110.689 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -134.07 130.55 37.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.727 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.47 117.25 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.841 0.353 . . . . 0.0 110.24 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.03 121.01 36.01 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -135.22 137.45 42.63 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.181 0.515 . . . . 0.0 111.526 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.86 178.217 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.738 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.67 138.46 25.91 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.754 0.312 . . . . 0.0 110.507 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.0 tt -130.07 124.16 57.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.339 0.59 . . . . 0.0 110.516 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 32' ' ' ILE . 4.1 mp -112.01 121.44 64.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.684 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.11 129.1 7.47 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.853 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.1 tp -134.75 129.99 35.5 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttm -142.26 136.22 29.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.689 0.28 . . . . 0.0 110.492 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.14 140.1 43.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.467 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.15 140.85 8.65 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.79 161.49 30.29 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.721 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -129.72 130.35 66.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.791 0.329 . . . . 0.0 110.401 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -106.28 112.81 41.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.665 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.5 mt . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.765 -176.644 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.414 ' HA ' ' HB3' ' D' ' 42' ' ' ALA . . . . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.683 0.278 . . . . 0.0 110.713 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 70.2 mt -133.28 125.49 51.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.431 . . . . 0.0 110.998 -176.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.07 136.69 60.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.771 175.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.5 130.29 3.89 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.062 177.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 60.9 tp -123.4 127.22 48.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.756 0.312 . . . . 0.0 110.485 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 27.9 ttt -125.53 121.79 34.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.244 -178.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.43 133.26 69.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.933 0.397 . . . . 0.0 110.852 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.68 142.07 11.97 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.98 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.28 143.91 12.73 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.137 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.19 131.37 72.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.977 0.418 . . . . 0.0 110.344 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.94 117.83 51.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.933 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.416 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 55.7 mt -116.77 125.02 73.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.964 -179.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' D' ' 30' ' ' ALA . . . . . . . . 0 C--O 1.248 1.001 0 O-C-N 124.209 0.943 . . . . 0.0 111.111 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 44.9 p90 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.78 0.324 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -122.87 133.47 54.42 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.303 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 m -106.36 143.62 16.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -144.96 135.27 24.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.297 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -158.32 140.03 13.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.738 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -143.23 154.44 43.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.102 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -141.43 149.33 40.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.878 0.371 . . . . 0.0 110.783 177.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.2 mt -133.85 130.96 38.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.759 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.93 117.11 43.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -122.02 120.66 35.02 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 35.5 p90 . . . . . 0 C--N 1.322 -0.604 0 CA-C-O 121.189 0.519 . . . . 0.0 111.471 -178.089 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.955 0 N-CA-C 111.631 -0.588 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.69 138.12 25.66 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.778 0.323 . . . . 0.0 110.669 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 11.9 tt -129.69 124.17 58.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.323 0.582 . . . . 0.0 110.447 177.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.409 ' N ' HD12 ' C' ' 32' ' ' ILE . 4.1 mp -111.99 121.5 64.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.734 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.0 129.48 7.64 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.686 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 57.1 tp -135.05 129.9 34.78 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 51.2 ttm -142.33 136.15 29.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.764 0.316 . . . . 0.0 110.533 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.12 140.12 43.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.478 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.23 140.66 8.5 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.511 -0.635 . . . . 0.0 111.511 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.77 161.3 30.18 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.671 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -129.42 130.46 67.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.872 0.368 . . . . 0.0 110.348 -178.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 60.5 t -106.44 112.77 40.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.713 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 68.0 mt . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.853 -176.676 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.539 ' HA ' ' HB3' ' B' ' 42' ' ' ALA . . . . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 120.702 0.287 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.416 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 70.4 mt -133.15 125.35 51.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.948 0.404 . . . . 0.0 110.983 -176.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.79 137.03 58.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.59 130.32 3.89 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.015 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 60.4 tp -123.66 127.13 47.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.787 0.327 . . . . 0.0 110.473 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 28.0 ttt -125.56 121.86 34.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.232 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -125.52 133.4 69.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.116 0.484 . . . . 0.0 110.81 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.71 142.22 12.1 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.986 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.24 143.91 12.74 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.108 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -124.09 131.63 72.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.036 0.446 . . . . 0.0 110.383 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.93 118.06 52.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.824 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 56.4 mt -116.83 125.09 73.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.932 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' B' ' 30' ' ' ALA . . . . . . . . 0 C--O 1.247 0.946 0 O-C-N 124.21 0.943 . . . . 0.0 111.121 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.5 p90 . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 120.909 0.385 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -112.24 129.76 56.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.213 172.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.94 134.8 54.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.857 0.36 . . . . 0.0 110.575 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -140.55 135.29 31.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -120.82 136.59 54.87 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -134.93 134.05 40.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.724 0.297 . . . . 0.0 110.335 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -122.8 133.77 54.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.317 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.64 121.97 31.85 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.835 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 m -125.43 137.63 57.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.088 0.47 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -135.68 138.94 43.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.457 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -132.76 133.57 43.61 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.327 0.584 . . . . 0.0 111.12 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.681 176.464 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' B' ' 40' ' ' VAL . . . -141.81 130.75 23.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.426 0.613 . . . . 0.0 111.625 -176.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -122.09 128.67 75.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.6 tt -130.88 136.53 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.986 0.422 . . . . 0.0 110.499 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.79 142.43 10.62 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.737 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -140.05 140.7 36.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.006 0.431 . . . . 0.0 110.584 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 70.5 mtm -126.86 129.73 48.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.689 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -121.86 131.79 72.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.427 -178.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.76 130.58 9.02 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.35 145.52 17.35 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.625 -177.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.3 t -129.44 121.14 52.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.7 t -104.49 106.27 20.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.953 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--N 1.322 -0.606 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.055 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -127.09 120.5 55.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.549 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -115.92 149.11 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.308 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.73 130.55 3.25 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.125 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -115.67 134.55 54.93 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 59.1 mtm -119.97 123.26 43.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.773 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -122.36 125.93 73.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.3 162.23 28.4 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.902 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.93 153.51 24.8 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.17 -0.538 . . . . 0.0 111.766 177.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -142.03 132.06 24.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.979 0.419 . . . . 0.0 110.604 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 16.8 m -124.34 123.53 66.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.8 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 58.2 mt -114.83 109.47 28.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.057 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.769 -179.187 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 38.5 p90 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.143 0.497 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -112.08 129.61 56.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.28 172.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.72 135.18 52.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.886 0.374 . . . . 0.0 110.582 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -141.1 135.49 31.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.759 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -120.9 136.43 54.94 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -134.68 134.08 40.72 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -123.01 133.85 54.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.983 0.42 . . . . 0.0 110.405 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.61 121.97 31.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.726 178.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 20.5 m -125.37 137.39 57.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.982 0.42 . . . . 0.0 110.98 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -135.33 139.17 44.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 35.3 p90 . . . . . 0 C--N 1.322 -0.594 0 CA-C-O 121.269 0.556 . . . . 0.0 111.12 -177.708 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' D' ' 40' ' ' VAL . . . -142.35 130.76 22.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.346 0.573 . . . . 0.0 111.602 -177.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.98 128.75 75.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.524 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.7 tt -130.92 136.71 57.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.037 0.446 . . . . 0.0 110.574 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.03 141.95 10.12 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.665 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -139.76 140.74 36.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.025 0.441 . . . . 0.0 110.581 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 70.0 mtm -126.62 129.93 49.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.772 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.3 t -121.93 131.7 72.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.493 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.75 130.47 8.96 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.38 145.66 17.48 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.625 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 88.5 t -129.51 120.92 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.842 0.353 . . . . 0.0 110.08 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -104.25 106.09 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.978 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 24.8 mt . . . . . 0 C--N 1.321 -0.669 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.04 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.71 0.291 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 66.5 mt -127.05 120.08 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.495 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -115.72 149.35 17.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.66 130.8 3.33 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.033 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 96.8 mt -115.93 134.73 54.67 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 59.3 mtm -120.19 123.21 42.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -174.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.42 125.94 73.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.41 162.12 28.41 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.952 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.01 153.17 24.54 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 p -142.01 132.09 24.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.017 0.437 . . . . 0.0 110.504 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' C' ' 30' ' ' ALA . 16.8 m -124.25 123.53 66.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.683 178.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 58.9 mt -114.9 109.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.066 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.729 -179.001 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.7 p90 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.16 134.05 55.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.829 0.347 . . . . 0.0 111.16 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 39' ' ' VAL . 3.6 p -122.79 133.13 69.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.562 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -139.56 153.0 47.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.073 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -141.84 145.55 34.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.807 0.337 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -126.43 135.45 51.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.909 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -127.65 129.92 48.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.834 0.35 . . . . 0.0 110.789 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.4 mt -130.49 131.32 45.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.288 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.3 m -128.36 131.14 69.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.144 0.497 . . . . 0.0 110.68 178.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -134.96 129.33 34.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.507 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -101.46 111.43 23.66 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.677 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.733 0 CA-C-O 120.935 0.397 . . . . 0.0 110.083 178.845 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 111.954 -0.458 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' B' ' 40' ' ' VAL . . . -133.92 130.03 37.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.969 0.414 . . . . 0.0 110.864 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 31' ' ' ILE . 3.9 mp -103.39 123.1 56.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.9 mt -115.33 115.96 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.918 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.8 127.59 7.19 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.319 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.5 mt -131.21 130.29 42.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.659 0.266 . . . . 0.0 110.603 -177.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 66.7 mtt -134.86 133.36 39.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.513 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 64.2 t -130.33 131.86 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.386 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.87 130.72 8.91 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.35 138.93 11.01 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.956 -177.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.438 HG22 HG23 ' A' ' 12' ' ' VAL . 48.0 t -132.59 131.87 59.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.792 0.33 . . . . 0.0 110.747 -177.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.6 t -93.9 105.98 17.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 173.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mt . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -175.059 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.193 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 54.5 mt -103.53 113.8 41.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.827 0.346 . . . . 0.0 110.368 -178.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -108.45 154.13 9.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.512 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.48 129.78 3.57 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.958 177.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.3 tp -107.47 125.41 51.22 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 63.1 mtt -113.06 122.12 46.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.392 -176.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.9 m -130.96 140.81 47.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.952 0.406 . . . . 0.0 110.276 177.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.94 162.01 31.44 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.082 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.85 139.55 8.05 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.583 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 27.5 m -130.84 134.86 61.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.027 0.441 . . . . 0.0 110.413 179.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 4.0 p -126.23 126.39 69.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.411 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mt -107.71 109.27 27.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.012 -179.722 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 42.9 p90 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -117.97 134.34 55.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.853 0.359 . . . . 0.0 111.194 -176.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.441 HG23 HG22 ' C' ' 39' ' ' VAL . 3.7 p -122.89 132.77 70.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.614 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -139.2 152.74 47.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.938 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -141.66 145.44 34.95 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.718 0.294 . . . . 0.0 110.773 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -126.48 135.64 51.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.969 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -127.83 129.92 47.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.137 0.494 . . . . 0.0 110.9 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -130.51 131.53 45.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.134 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 15.4 m -128.61 131.29 68.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.965 0.412 . . . . 0.0 110.538 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -135.06 129.32 33.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.66 -177.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 56.2 t80 . . . . . 0 C--N 1.321 -0.668 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.749 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.52 0 N-CA-C 111.792 -0.523 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' D' ' 40' ' ' VAL . . . -133.97 130.06 37.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.027 0.442 . . . . 0.0 110.949 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.425 ' N ' HD12 ' C' ' 31' ' ' ILE . 3.9 mp -103.53 123.18 56.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 64.2 mt -115.37 115.72 50.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.55 127.41 7.15 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.441 -0.663 . . . . 0.0 111.441 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 78.6 mt -131.08 130.52 43.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.644 0.259 . . . . 0.0 110.691 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 66.0 mtt -135.03 133.13 39.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.762 0.315 . . . . 0.0 110.501 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 64.6 t -130.1 131.81 65.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.456 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.11 130.46 8.74 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.516 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.06 138.87 11.04 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.996 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.441 HG22 HG23 ' C' ' 12' ' ' VAL . 48.1 t -132.79 131.93 59.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.862 0.363 . . . . 0.0 110.621 -177.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.98 106.19 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 173.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 47.7 mt . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.748 -175.181 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.194 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 56.2 mt -103.51 113.93 41.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.773 0.321 . . . . 0.0 110.381 -178.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -108.48 154.44 9.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.496 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.66 129.85 3.58 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.067 177.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 57.4 tp -107.53 125.5 51.37 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 63.4 mtt -113.09 121.8 45.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.427 -176.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 24.9 m -130.85 140.83 47.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.035 0.445 . . . . 0.0 110.231 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.74 162.55 31.7 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.095 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.17 139.77 8.13 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.601 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 27.7 m -131.01 134.84 61.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.981 0.419 . . . . 0.0 110.352 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' C' ' 30' ' ' ALA . 4.1 p -126.26 126.29 69.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.455 176.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 48.3 mt -107.67 109.22 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.055 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.329 -0.844 . . . . 0.0 110.081 -179.715 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.689 0.281 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.92 88.43 2.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.929 0.395 . . . . 0.0 110.564 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -83.93 -46.85 11.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.447 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -88.03 59.26 5.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.615 0.722 . . . . 0.0 109.465 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -159.61 91.84 1.01 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.269 -178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -79.53 -40.31 29.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.332 0.587 . . . . 0.0 109.611 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -164.83 -172.72 2.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.036 -0.984 . . . . 0.0 108.889 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.2 p -130.97 36.5 3.86 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.896 0.379 . . . . 0.0 110.815 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.1 54.36 4.72 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.134 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.3 p90 -140.95 159.85 41.33 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -134.3 130.02 36.42 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 176.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.1 p -98.31 138.84 21.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.051 0.453 . . . . 0.0 110.602 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -127.58 135.64 50.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -147.96 136.03 21.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.857 0.36 . . . . 0.0 110.233 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -147.86 133.13 18.44 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -138.02 140.01 39.9 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 17' ' ' LEU . 1.9 pt? -152.36 149.74 28.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.234 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -125.31 141.72 44.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.456 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -126.78 129.59 48.63 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -125.71 130.16 50.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.239 0.542 . . . . 0.0 110.982 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.416 ' HB1' ' OD2' ' A' ' 23' ' ' ASP . . . -128.7 130.93 47.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.425 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -111.06 3.96 19.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.344 0.592 . . . . 0.0 110.056 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.416 ' OD2' ' HB1' ' A' ' 21' ' ' ALA . 6.5 p-10 -85.55 25.37 1.06 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.072 -178.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.2 t -88.7 -38.87 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.422 0.63 . . . . 0.0 109.437 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.24 170.38 38.66 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.344 -1.103 . . . . 0.0 110.344 176.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -66.69 -35.76 80.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 117.491 0.645 . . . . 0.0 109.514 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -127.38 54.03 1.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.001 174.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -160.54 138.2 9.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.78 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.59 165.72 26.71 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.206 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.76 131.87 36.08 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.767 0.317 . . . . 0.0 110.52 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 tt -131.58 139.06 51.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.362 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 tt -131.53 133.33 61.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.479 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.408 ' O ' ' HA2' ' B' ' 37' ' ' GLY . . . -118.08 132.5 9.86 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.2 tp -123.97 128.54 49.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.822 0.344 . . . . 0.0 110.655 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.1 mtm -130.92 120.93 24.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.821 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -123.12 131.7 72.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.905 0.384 . . . . 0.0 110.571 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -134.99 131.13 5.72 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 177.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.93 154.28 25.52 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.845 -176.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -133.66 127.2 52.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.491 HG23 HG12 ' B' ' 31' ' ' ILE . 4.1 p -116.14 125.55 73.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.985 0.421 . . . . 0.0 110.629 177.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.29 122.83 67.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.159 -177.513 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.12 32.67 4.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.752 0.31 . . . . 0.0 111.169 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -96.48 143.57 27.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.057 0.456 . . . . 0.0 110.072 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -122.11 71.23 0.99 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.085 -177.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -64.26 101.08 0.38 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.277 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -88.56 -59.57 2.2 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . 0.518 ' HB3' ' HA ' ' B' ' 11' ' ' GLU . 4.9 m-20 -95.71 72.37 3.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.076 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t -89.17 138.01 31.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.237 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.19 -60.37 4.77 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.994 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -143.98 133.65 23.64 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.518 ' HA ' ' HB3' ' B' ' 7' ' ' ASP . 43.8 mt-10 -73.09 106.97 5.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.203 0.525 . . . . 0.0 110.266 178.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 m -101.04 -19.43 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.819 -176.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -75.45 86.73 2.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.16 0.505 . . . . 0.0 110.668 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -101.52 -31.48 10.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.628 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -99.36 109.83 22.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.087 0.47 . . . . 0.0 110.388 -178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -86.68 18.89 3.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.69 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -60.59 -37.48 81.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.429 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 p -67.81 -24.4 30.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.857 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -84.87 -34.25 22.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.114 0.483 . . . . 0.0 109.852 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -67.45 -45.09 77.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.231 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.62 3.58 47.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.236 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 63.48 179.17 0.16 Allowed 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.92 0.762 . . . . 0.0 111.032 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -146.99 157.84 43.74 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.302 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 m -122.04 32.22 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.136 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.81 -73.31 1.7 Allowed Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.776 -175.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 44.5 m -134.62 138.09 44.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -79.33 69.59 5.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 71.51 -52.99 0.69 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.756 -174.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -164.84 -152.69 7.14 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.92 127.11 12.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.808 0.304 . . . . 0.0 110.648 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.491 HG12 HG23 ' A' ' 40' ' ' VAL . 78.0 mt -127.41 125.11 65.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.406 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.452 HD13 ' N ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -134.86 130.45 52.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.662 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.452 ' N ' HD13 ' B' ' 32' ' ' ILE . . . -138.63 130.63 5.0 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.959 178.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.7 tp -112.43 126.23 55.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.813 0.34 . . . . 0.0 110.319 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 59.2 mtt -115.03 121.11 42.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.94 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.5 t -123.92 126.56 72.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.125 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 33' ' ' GLY . . . -140.95 136.41 7.54 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.91 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.57 139.86 11.84 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.027 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 m -118.42 130.8 72.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.036 0.446 . . . . 0.0 110.566 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 73.2 t -125.78 114.44 39.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.877 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 55.1 mt -116.64 109.49 28.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.674 -178.001 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.747 0.308 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.43 88.01 2.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.064 0.459 . . . . 0.0 110.679 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -83.63 -47.24 11.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.394 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -87.75 59.16 5.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.592 0.71 . . . . 0.0 109.51 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -159.49 91.97 1.03 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.175 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -79.65 -40.07 29.99 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.425 0.631 . . . . 0.0 109.742 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -165.03 -172.72 2.65 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.049 -0.978 . . . . 0.0 108.936 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 16.2 p -130.92 36.49 3.87 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.983 0.42 . . . . 0.0 110.797 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.74 54.42 4.65 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.099 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -141.29 159.31 42.48 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -133.77 130.19 37.68 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 9.5 p -98.52 138.96 21.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.963 0.411 . . . . 0.0 110.48 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -127.46 136.23 51.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -148.7 135.82 20.11 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.818 0.342 . . . . 0.0 110.213 178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -147.95 133.01 18.22 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -137.51 140.56 41.2 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -152.63 149.94 28.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.225 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -125.69 141.3 45.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.082 0.467 . . . . 0.0 110.52 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -126.5 129.4 48.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.818 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -125.35 130.4 51.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.027 0.442 . . . . 0.0 110.886 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.415 ' HB1' ' OD2' ' C' ' 23' ' ' ASP . . . -129.04 131.04 47.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.574 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -111.01 3.47 18.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.328 0.585 . . . . 0.0 110.102 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.415 ' OD2' ' HB1' ' C' ' 21' ' ' ALA . 6.5 p-10 -85.09 25.18 0.99 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.148 -178.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 26.3 t -88.58 -38.67 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.548 0.69 . . . . 0.0 109.399 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -163.46 170.24 38.78 Favored Glycine 0 N--CA 1.442 -0.944 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t -66.7 -35.37 79.97 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 117.424 0.612 . . . . 0.0 109.47 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -127.66 53.34 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.038 175.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -160.3 138.38 9.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.727 176.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.86 165.75 26.8 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.24 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.88 131.61 35.47 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.655 0.264 . . . . 0.0 110.49 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 tt -131.3 139.14 51.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 120.911 0.386 . . . . 0.0 110.313 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 tt -131.7 133.29 61.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.454 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.417 ' O ' ' HA2' ' D' ' 37' ' ' GLY . . . -118.06 132.43 9.83 Favored Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 176.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 61.4 tp -123.83 128.39 49.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.847 0.356 . . . . 0.0 110.732 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 53.6 mtm -131.02 120.92 24.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.74 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -122.92 132.0 72.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.783 0.325 . . . . 0.0 110.517 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.48 130.91 5.57 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.75 154.24 25.45 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.874 -176.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 45.2 t -133.69 126.98 52.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.497 HG23 HG12 ' D' ' 31' ' ' ILE . 4.2 p -115.83 125.65 73.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.988 0.423 . . . . 0.0 110.747 177.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.35 122.89 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.094 -0.955 . . . . 0.0 110.157 -177.412 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.32 32.66 4.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.764 0.316 . . . . 0.0 111.142 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -96.5 143.19 27.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.105 0.478 . . . . 0.0 110.237 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -121.74 71.22 0.97 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.035 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -63.98 101.38 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.169 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -88.79 -59.81 2.13 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . 0.522 ' HB3' ' HA ' ' D' ' 11' ' ' GLU . 4.9 m-20 -95.68 73.17 3.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.965 178.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t -89.89 138.25 31.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.226 -178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.06 -60.24 4.81 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.91 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -144.08 133.73 23.61 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.522 ' HA ' ' HB3' ' D' ' 7' ' ' ASP . 44.0 mt-10 -72.89 106.58 4.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.152 0.501 . . . . 0.0 110.397 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 30.1 m -100.74 -19.42 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.806 -176.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -75.45 86.97 2.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.17 0.509 . . . . 0.0 110.529 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -101.88 -31.27 10.79 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.727 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -99.45 110.1 22.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.318 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -86.87 19.21 3.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.621 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.7 -37.6 82.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.319 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 p -67.88 -24.22 30.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.875 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -84.93 -34.23 22.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.117 0.484 . . . . 0.0 109.911 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -67.35 -45.3 76.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.215 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.51 3.59 48.19 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.208 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 63.26 179.37 0.15 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.134 -176.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -147.16 158.54 43.98 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.1 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 14.3 m -122.81 32.43 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.942 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.56 -73.23 1.65 Allowed Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.732 -175.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 41.9 m -134.41 138.09 44.54 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -79.3 69.35 5.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.06 0.457 . . . . 0.0 109.862 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 71.94 -52.34 0.69 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.761 -175.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -165.54 -152.67 7.25 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.05 127.25 12.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.758 0.279 . . . . 0.0 110.751 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 77.8 mt -127.51 125.25 65.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.275 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.446 HD13 ' N ' ' D' ' 33' ' ' GLY . 0.0 OUTLIER -134.98 130.49 52.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.552 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.446 ' N ' HD13 ' D' ' 32' ' ' ILE . . . -138.36 130.53 5.0 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.075 178.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 57.2 tp -112.38 126.37 55.21 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.757 0.313 . . . . 0.0 110.247 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 58.7 mtt -114.93 121.03 41.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.057 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.9 126.82 73.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.094 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' C' ' 33' ' ' GLY . . . -141.48 136.28 7.34 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.967 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.17 140.01 12.03 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.025 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.53 130.86 72.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.037 0.446 . . . . 0.0 110.664 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 69.5 t -125.76 114.32 38.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.958 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.475 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 55.4 mt -116.55 109.34 27.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.682 -0.675 . . . . 0.0 109.622 -177.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.469 0.176 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.37 168.16 14.08 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.601 -0.148 . . . . 0.0 110.601 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 62.34 79.31 0.26 Allowed 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.654 0.596 . . . . 0.0 111.144 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -86.77 -65.55 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.324 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 57.09 94.41 0.03 OUTLIER 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.33 -175.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -79.63 69.48 5.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.194 0.521 . . . . 0.0 110.331 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -87.24 -173.56 4.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.672 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.8 t -168.01 114.51 0.7 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.784 0.326 . . . . 0.0 110.212 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.21 -136.4 9.12 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.459 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -146.28 153.95 41.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.75 0.309 . . . . 0.0 110.675 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -131.33 144.35 51.19 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.402 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -126.89 130.79 71.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.075 0.464 . . . . 0.0 110.808 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -142.49 146.17 34.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.758 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -140.72 161.92 36.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.864 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -152.77 143.55 22.86 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -139.26 137.46 35.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.019 0.437 . . . . 0.0 110.79 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -134.77 134.3 40.79 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.0 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.2 m -125.39 135.68 63.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.07 0.462 . . . . 0.0 110.538 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.405 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 64.0 m-85 -131.76 135.3 46.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.973 -178.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -134.71 129.97 35.55 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.724 0.297 . . . . 0.0 110.299 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.53 128.99 30.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.484 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -107.46 14.25 26.06 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.498 0.666 . . . . 0.0 109.837 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.28 22.26 0.85 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.166 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.1 t -89.92 -25.23 5.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.191 0.519 . . . . 0.0 110.027 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.44 -157.3 14.77 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.3 m -84.5 -41.11 16.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.953 0.406 . . . . 0.0 110.615 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -133.7 38.37 3.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.171 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.526 ' HB2' ' OXT' ' B' ' 42' ' ' ALA . 10.7 ptmm? -148.8 150.91 33.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.591 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.42 -169.72 25.1 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.302 -0.951 . . . . 0.0 113.2 -174.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.33 140.21 33.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.77 0.319 . . . . 0.0 110.786 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.06 133.84 68.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.431 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.405 ' HB ' ' HB2' ' A' ' 19' ' ' PHE . 55.0 mt -124.86 138.84 52.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.325 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.28 128.42 4.34 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.789 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.6 tp -120.94 123.15 41.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.752 0.31 . . . . 0.0 110.319 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.5 mmt -119.82 123.77 44.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.956 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.492 HG13 ' HG2' ' B' ' 35' ' ' MET . 63.9 t -121.11 137.19 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.928 -178.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.26 134.29 6.44 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.13 142.57 12.65 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.917 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.7 t -128.68 128.75 68.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.472 HG13 HG12 ' B' ' 31' ' ' ILE . 58.7 t -114.0 122.61 68.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.182 179.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.7 pt -118.01 132.83 66.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.712 0.292 . . . . 0.0 110.493 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.57 -178.253 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.887 0.375 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.37 -9.64 44.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.247 0.546 . . . . 0.0 109.93 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -80.79 137.54 36.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.208 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -128.99 7.95 5.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.166 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.514 ' HE ' ' CD ' ' B' ' 11' ' ' GLU . 22.7 ttt180 -131.71 -52.55 0.99 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.467 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -74.31 85.55 1.95 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.236 0.541 . . . . 0.0 111.492 -173.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' B' ' 9' ' ' GLY . 8.2 p-10 -91.01 -20.29 22.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.334 179.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.1 t 73.33 1.74 4.09 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.513 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.403 ' H ' ' CG ' ' B' ' 7' ' ' ASP . . . -100.66 -45.18 1.99 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 174.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -95.56 -41.81 8.75 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 171.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.514 ' CD ' ' HE ' ' B' ' 5' ' ' ARG . 16.1 mm-40 -78.33 72.04 4.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.396 174.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 16.6 m -96.71 -24.19 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.123 -176.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -75.01 100.08 4.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.965 0.412 . . . . 0.0 110.882 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -83.01 70.8 10.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.43 0.633 . . . . 0.0 109.81 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -83.34 4.09 28.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.594 -175.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -114.02 17.55 17.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.048 0.451 . . . . 0.0 110.238 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.9 tp -67.02 -29.71 69.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.452 -178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.6 p -67.8 -28.04 40.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.03 0.443 . . . . 0.0 110.595 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -84.87 -20.24 31.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.161 0.505 . . . . 0.0 110.216 177.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -85.23 -31.46 23.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.007 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.3 81.58 7.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.181 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.06 137.94 58.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.492 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -91.89 143.41 26.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.157 0.503 . . . . 0.0 111.02 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 10.6 p -147.45 28.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 122.162 0.982 . . . . 0.0 108.538 174.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.18 21.14 2.63 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.995 -175.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.7 m -74.21 162.74 28.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.864 0.332 . . . . 0.0 110.877 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 69.56 70.74 0.25 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.624 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -71.53 94.31 1.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.735 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.72 71.09 1.0 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.284 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.66 134.47 35.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.038 0.447 . . . . 0.0 110.998 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.472 HG12 HG13 ' A' ' 40' ' ' VAL . 75.1 mt -115.55 114.63 46.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.32 178.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.42 128.15 62.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 177.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.59 130.2 6.08 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.846 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 67.4 tp -121.16 127.09 51.2 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.492 ' HG2' HG13 ' A' ' 36' ' ' VAL . 60.0 mtt -124.3 120.72 33.0 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.817 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -120.88 128.11 76.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.082 0.467 . . . . 0.0 110.27 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.9 135.34 8.2 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.564 -0.826 . . . . 0.0 111.972 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.59 142.92 13.98 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.582 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 p -136.37 132.12 48.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.087 0.47 . . . . 0.0 110.808 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 49.7 t -118.21 113.65 42.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 55.7 mt -107.56 114.26 45.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.017 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.526 ' OXT' ' HB2' ' A' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.733 -0.651 . . . . 0.0 109.606 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.567 0.223 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.67 168.66 14.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.886 -0.143 . . . . 0.0 110.664 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 61.53 79.3 0.26 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.763 0.665 . . . . 0.0 111.261 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -86.7 -65.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.279 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 56.72 94.63 0.02 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.31 -175.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -79.83 69.51 6.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.263 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.43 -173.1 4.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.602 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 44.5 t -168.31 114.43 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 -177.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.22 -136.25 9.05 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.371 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -146.3 153.68 40.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.909 0.385 . . . . 0.0 110.855 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -131.12 144.27 51.27 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.443 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 17.6 m -126.63 131.4 71.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.003 0.43 . . . . 0.0 110.637 -177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -142.87 146.21 33.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.701 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -140.8 161.86 36.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.953 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -152.75 143.45 22.8 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -139.13 137.69 36.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.931 0.396 . . . . 0.0 110.81 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -135.15 133.7 39.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.001 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 m -124.57 136.33 60.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.094 0.473 . . . . 0.0 110.512 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -132.19 135.39 46.3 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.986 -178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -134.74 130.05 35.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.782 0.325 . . . . 0.0 110.396 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.52 129.14 30.52 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.448 177.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -107.86 14.4 25.43 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.576 0.703 . . . . 0.0 109.774 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -82.12 21.65 0.88 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.166 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -89.48 -25.24 5.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.162 0.506 . . . . 0.0 109.989 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.28 -157.19 14.35 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.526 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.0 m -84.57 -41.76 16.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.009 0.433 . . . . 0.0 110.439 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -133.14 38.67 3.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.214 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.525 ' HB2' ' OXT' ' D' ' 42' ' ' ALA . 10.8 ptmm? -149.25 151.17 33.78 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.57 -169.72 25.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.271 -0.966 . . . . 0.0 113.161 -174.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.97 140.45 34.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.696 0.284 . . . . 0.0 110.851 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.32 133.57 68.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.552 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.415 HG12 HG23 ' D' ' 39' ' ' VAL . 55.0 mt -124.63 138.92 52.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.402 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -137.38 128.1 4.21 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.713 176.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 59.8 tp -120.69 123.17 42.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.668 0.27 . . . . 0.0 110.422 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 23.6 mmt -120.04 123.3 43.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.031 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.491 HG13 ' HG2' ' D' ' 35' ' ' MET . 62.9 t -120.63 137.38 54.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.011 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.46 134.67 6.6 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.35 142.43 12.43 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.854 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 60.1 t -128.49 128.65 68.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.481 HG13 HG12 ' D' ' 31' ' ' ILE . 58.8 t -113.82 122.76 68.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.191 178.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 25.2 pt -118.14 132.68 67.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.665 0.269 . . . . 0.0 110.545 178.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.46 -178.304 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.748 0.309 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.04 -9.28 46.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.134 0.492 . . . . 0.0 110.216 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.02 137.54 36.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.164 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -129.08 8.1 5.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.188 177.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . 0.519 ' HE ' ' CD ' ' D' ' 11' ' ' GLU . 22.4 ttt180 -131.67 -52.73 1.0 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.431 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -74.34 85.49 1.96 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.304 0.573 . . . . 0.0 111.511 -173.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . 0.404 ' CG ' ' H ' ' D' ' 9' ' ' GLY . 8.0 p-10 -91.1 -19.77 22.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.469 179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 28.8 t 72.84 1.62 4.08 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.509 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . 0.404 ' H ' ' CG ' ' D' ' 7' ' ' ASP . . . -100.68 -45.15 1.99 Allowed Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 174.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -95.57 -41.85 8.72 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 171.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.519 ' CD ' ' HE ' ' D' ' 5' ' ' ARG . 16.1 mm-40 -78.42 72.11 4.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.293 174.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 16.5 m -96.72 -24.23 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.069 -176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -75.24 100.0 4.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.972 0.415 . . . . 0.0 110.834 -177.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -82.94 70.96 10.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.433 0.635 . . . . 0.0 109.824 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -83.34 4.03 29.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.714 -175.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -114.11 17.6 17.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.993 0.425 . . . . 0.0 110.228 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 58.9 tp -66.97 -29.65 69.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.5 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 p -67.81 -28.17 40.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.054 0.454 . . . . 0.0 110.576 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -84.9 -20.25 31.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.153 0.502 . . . . 0.0 110.209 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -85.15 -31.6 23.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.967 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.25 81.74 7.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.195 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -64.81 138.14 58.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.55 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -91.93 143.71 26.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 10.6 p -147.7 28.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 122.112 0.958 . . . . 0.0 108.552 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.23 20.84 2.62 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.922 -175.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 69.0 m -74.07 162.7 28.74 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.784 0.292 . . . . 0.0 110.836 176.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 69.45 70.56 0.25 Allowed 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.623 0.577 . . . . 0.0 110.652 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -71.3 94.12 1.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.99 71.32 1.0 Allowed Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.26 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.75 134.64 35.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.103 0.477 . . . . 0.0 110.902 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.481 HG12 HG13 ' C' ' 40' ' ' VAL . 76.4 mt -115.79 114.64 46.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.226 178.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.5 128.07 62.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 177.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.55 129.98 6.01 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.956 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 66.6 tp -120.92 126.75 50.8 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.834 0.349 . . . . 0.0 110.23 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.491 ' HG2' HG13 ' C' ' 36' ' ' VAL . 60.1 mtt -123.83 120.97 34.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.818 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 m -121.03 127.81 75.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.969 0.414 . . . . 0.0 110.278 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.76 135.44 8.27 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.938 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.02 143.36 14.33 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.495 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.415 HG23 HG12 ' C' ' 32' ' ' ILE . 6.8 p -136.7 132.1 47.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.145 0.497 . . . . 0.0 110.853 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 50.7 t -118.2 113.45 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 55.9 mt -107.61 114.47 46.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.977 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . 0.525 ' OXT' ' HB2' ' C' ' 28' ' ' LYS . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.701 -0.666 . . . . 0.0 109.519 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.758 0.313 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.18 -32.93 26.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.136 0.493 . . . . 0.0 110.088 176.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -114.2 146.28 40.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.653 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -130.13 90.09 2.9 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 171.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -69.69 -20.76 63.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.357 -177.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -96.25 57.94 1.76 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.564 174.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -62.44 -29.16 70.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.704 -175.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -91.74 9.58 31.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.115 0.483 . . . . 0.0 110.584 -178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.39 65.74 3.77 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.447 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -150.18 151.93 33.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.693 0.282 . . . . 0.0 110.319 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -110.17 138.88 45.94 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.437 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.1 t -112.98 113.78 45.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -114.38 137.18 52.14 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -152.19 144.23 23.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.879 0.371 . . . . 0.0 111.013 -176.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -146.1 150.54 36.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.206 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -136.01 126.69 27.21 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 mp -122.93 125.97 46.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.175 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.9 t -128.04 122.71 58.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -111.96 136.61 51.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.066 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -112.61 121.53 45.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.705 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.15 128.98 55.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.963 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -76.02 -34.91 59.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.296 -175.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.608 ' HA ' ' O ' ' A' ' 28' ' ' LYS . 24.2 t70 -153.81 144.63 22.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.886 0.374 . . . . 0.0 110.791 176.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 m -135.21 44.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.855 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 175.09 -59.67 0.11 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 119.745 -1.217 . . . . 0.0 113.652 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.5 t -170.85 -46.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.885 0.374 . . . . 0.0 110.101 -174.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -158.96 63.68 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.384 0.612 . . . . 0.0 109.725 176.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.608 ' O ' ' HA ' ' A' ' 23' ' ' ASP . 26.1 pttm -161.08 138.24 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.958 175.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.15 169.01 21.45 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.974 -176.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.7 131.01 19.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.087 0.47 . . . . 0.0 111.325 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.7 tt -125.32 132.37 71.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.614 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 tt -134.37 127.11 50.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.988 0.423 . . . . 0.0 110.967 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.2 135.62 8.72 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 tp -135.29 125.99 27.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.761 0.315 . . . . 0.0 110.267 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 26.6 ttt -121.1 132.74 55.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.287 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -123.12 131.39 73.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.997 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.47 130.78 5.96 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.39 155.26 25.11 Favored Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.063 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.62 129.27 75.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -105.21 110.18 30.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.849 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.446 ' O ' ' HA2' ' B' ' 29' ' ' GLY . 60.6 mt -101.65 109.14 25.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.087 -178.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.851 -176.372 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.744 0.307 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.12 41.62 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.033 0.444 . . . . 0.0 110.198 177.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -61.81 -37.03 82.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.566 -176.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -78.87 -40.11 33.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.932 0.396 . . . . 0.0 110.592 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -82.87 62.88 6.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.09 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -104.15 135.2 46.08 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.503 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -150.82 149.06 29.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 57.6 m 59.99 31.02 20.47 Favored 'General case' 0 C--O 1.233 0.185 0 O-C-N 123.64 0.587 . . . . 0.0 111.272 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.91 -9.36 45.94 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.024 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 63.27 27.75 15.56 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.324 0.583 . . . . 0.0 110.337 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -77.25 -60.02 2.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.648 -177.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -90.31 143.26 11.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.868 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -107.63 0.34 22.45 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.394 0.616 . . . . 0.0 109.629 176.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -118.62 130.55 55.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.304 174.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -122.05 146.41 47.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.419 0.628 . . . . 0.0 111.753 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -143.86 -36.16 0.35 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.6 177.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.63 -42.36 92.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.351 -178.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.03 -22.06 27.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.292 . . . . 0.0 111.534 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -85.99 -22.25 27.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.178 0.513 . . . . 0.0 110.43 176.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -87.9 -42.21 12.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.909 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.42 141.66 28.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.519 -176.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 60.3 41.63 16.13 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.821 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -62.09 -46.15 90.37 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.484 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 49.6 t -72.81 -36.76 53.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.557 177.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.53 -63.23 3.93 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.557 176.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 24.5 t 60.6 33.18 20.43 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.307 0.575 . . . . 0.0 110.178 -177.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -93.42 -57.91 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.055 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -121.52 163.93 18.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.99 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 41' ' ' ILE . . . 141.06 115.54 1.2 Allowed Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.442 -178.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.89 127.48 35.64 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 64.1 mt -117.56 112.88 40.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.849 0.357 . . . . 0.0 110.736 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -111.78 154.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 175.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.13 131.63 3.77 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.229 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 75.9 mt -107.57 126.17 52.21 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 61.1 mtm -113.23 121.57 44.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.483 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 57.8 t -132.71 126.87 55.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.097 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.29 167.96 29.02 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.769 -178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.45 142.23 9.16 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.189 -0.529 . . . . 0.0 111.995 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 25.1 t -123.64 131.19 73.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 82.6 t -125.43 113.82 36.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 176.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 65.0 mt -111.8 109.47 28.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.04 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.473 -0.775 . . . . 0.0 109.792 -177.529 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 120.648 0.261 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.09 -33.04 26.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.125 0.488 . . . . 0.0 110.135 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -114.12 145.75 41.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.635 176.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -129.79 90.29 2.95 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 171.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -69.75 -20.7 63.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.36 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -96.34 57.11 1.65 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.494 174.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -61.5 -29.93 70.29 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.617 -175.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 19.0 m -90.84 9.51 29.97 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.071 0.462 . . . . 0.0 110.74 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.58 65.99 3.7 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.463 -178.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -150.35 151.97 33.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.696 0.284 . . . . 0.0 110.252 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -110.41 138.64 46.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.454 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.55 113.75 45.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -114.16 137.66 51.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.941 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -153.0 143.61 22.71 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.671 0.272 . . . . 0.0 110.891 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -145.95 150.5 36.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.059 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -135.97 126.59 27.11 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mp -122.81 125.85 46.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.169 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 55.3 t -127.9 122.62 59.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -111.9 136.55 51.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.115 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -112.62 121.44 44.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.682 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.11 129.09 55.33 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.001 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -76.4 -34.6 58.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.254 -175.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.62 ' HA ' ' O ' ' C' ' 28' ' ' LYS . 24.5 t70 -154.1 144.53 22.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.808 176.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 m -135.11 44.47 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.816 177.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 175.31 -60.39 0.11 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 119.875 -1.155 . . . . 0.0 113.682 177.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 31.8 t -170.21 -46.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.126 0.489 . . . . 0.0 110.039 -174.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -158.7 63.2 0.42 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.84 177.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.62 ' O ' ' HA ' ' C' ' 23' ' ' ASP . 26.1 pttm -160.8 138.26 9.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.964 175.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.79 168.92 21.76 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.03 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.66 131.2 19.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.075 0.464 . . . . 0.0 111.276 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 9.5 tt -125.69 132.05 71.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.661 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 tt -134.22 126.95 50.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.167 0.508 . . . . 0.0 111.037 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.25 135.71 8.75 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.619 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 58.9 tp -135.23 125.89 27.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.623 0.249 . . . . 0.0 110.345 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 26.7 ttt -121.01 132.96 55.22 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.289 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -123.39 131.34 73.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.04 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.41 130.61 5.92 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.23 155.25 25.03 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.977 -176.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.37 129.39 75.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.49 109.86 29.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.83 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.441 ' O ' ' HA2' ' D' ' 29' ' ' GLY . 59.7 mt -101.31 109.53 25.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.099 -179.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.331 -0.842 . . . . 0.0 111.022 -176.247 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.801 0.334 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.53 41.87 3.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.212 0.53 . . . . 0.0 110.097 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -61.96 -37.03 83.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.569 -176.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -78.95 -40.3 32.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.823 0.344 . . . . 0.0 110.493 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -82.6 63.1 6.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.955 0.407 . . . . 0.0 111.032 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -104.4 134.78 47.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.459 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -150.43 149.01 29.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.568 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 54.5 m 60.09 31.08 20.44 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 123.602 0.563 . . . . 0.0 111.183 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.13 -9.0 46.22 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.08 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 62.94 27.81 16.08 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.41 0.624 . . . . 0.0 110.487 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -77.51 -59.53 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.631 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -90.68 143.58 10.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.82 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -108.01 0.39 21.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.333 0.587 . . . . 0.0 109.663 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -118.54 130.72 56.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.286 174.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -122.41 146.41 47.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.193 0.521 . . . . 0.0 111.641 -177.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -143.9 -36.22 0.35 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.531 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.65 -42.29 92.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.499 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.03 -22.1 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.745 0.307 . . . . 0.0 111.577 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -85.84 -22.52 27.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.117 0.484 . . . . 0.0 110.354 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -87.81 -42.13 12.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.991 -178.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.51 142.28 27.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.495 -176.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 59.6 42.01 17.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.796 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.23 -46.43 88.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.365 176.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 50.2 t -72.52 -36.67 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.425 0.631 . . . . 0.0 109.655 177.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.28 -63.19 4.01 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.553 177.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 24.3 t 60.6 32.93 20.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.391 0.615 . . . . 0.0 110.176 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -92.95 -58.27 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.07 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -120.95 164.34 16.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.121 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' C' ' 41' ' ' ILE . . . 140.82 115.32 1.19 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.524 -178.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.77 127.6 35.61 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 63.4 mt -117.53 112.67 39.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.945 0.402 . . . . 0.0 110.83 -175.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -111.62 155.02 13.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.28 131.46 3.69 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.243 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 76.6 mt -107.51 126.35 52.42 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.9 mtm -113.39 121.53 44.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.478 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.59 126.69 55.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.11 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.93 167.75 28.82 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.882 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.13 142.53 9.47 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.942 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 26.1 t -123.94 131.23 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 81.4 t -125.4 113.88 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.694 0.283 . . . . 0.0 110.278 176.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 64.6 mt -111.64 109.58 29.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.094 177.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.669 -177.572 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.02 104.86 17.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.143 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -94.8 142.59 27.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.335 -177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -133.82 13.04 4.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.22 -175.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -78.58 43.13 0.46 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.237 0.542 . . . . 0.0 111.475 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -62.58 -40.77 97.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.3 0.571 . . . . 0.0 109.839 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -116.87 155.48 28.96 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.308 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.3 m -150.65 104.58 3.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.73 0.3 . . . . 0.0 110.247 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.69 108.7 1.81 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.673 -0.775 . . . . 0.0 111.465 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.433 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 44.1 p90 -140.09 152.51 46.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.097 0.475 . . . . 0.0 111.116 -177.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -138.93 144.94 39.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.715 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.8 m -107.25 134.46 48.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.308 0.575 . . . . 0.0 110.935 -176.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -130.31 145.78 51.82 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.454 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -154.93 148.61 25.42 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.97 0.414 . . . . 0.0 111.113 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -133.2 134.04 43.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.398 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -139.87 137.13 34.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.864 0.364 . . . . 0.0 110.957 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.7 mt -137.28 121.42 17.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.976 177.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -112.81 116.82 53.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -119.46 133.61 55.61 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.249 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -133.75 128.83 35.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.918 0.389 . . . . 0.0 110.237 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.42 129.84 41.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.34 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -110.85 155.92 21.89 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 57.93 55.94 5.02 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.268 0.355 . . . . 0.0 111.092 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 28' ' ' LYS . 29.0 m -78.75 52.65 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-O 121.302 0.573 . . . . 0.0 112.147 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.3 8.95 82.79 Favored Glycine 0 CA--C 1.509 -0.334 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 177.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.8 p -169.25 176.52 5.16 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -77.99 57.39 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.252 0.549 . . . . 0.0 109.722 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.596 ' O ' HG22 ' A' ' 24' ' ' VAL . 49.1 mtpt -141.02 139.28 34.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.027 -176.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.27 148.94 17.53 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.5 177.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.53 130.43 47.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.934 0.397 . . . . 0.0 111.166 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.1 tt -122.57 130.36 74.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.235 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.4 mt -122.53 121.61 64.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.502 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.87 128.18 7.78 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 176.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.9 tp -137.01 125.02 22.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.793 0.297 . . . . 0.0 110.476 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.6 ptp -143.98 141.18 30.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.721 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.08 136.36 33.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.506 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.58 135.65 10.64 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.817 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.74 141.33 12.67 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.509 -0.636 . . . . 0.0 111.509 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -129.01 131.72 67.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 117.049 0.424 . . . . 0.0 110.957 -176.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 59.9 t -91.96 110.8 23.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 174.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.5 mt -111.83 117.21 54.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.689 0.28 . . . . 0.0 111.523 -174.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.673 -0.679 . . . . 0.0 110.4 175.796 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.4 ' CG ' ' H ' ' B' ' 2' ' ' ALA . 1.9 p-10 . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 119.896 -0.097 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.4 ' H ' ' CG ' ' B' ' 1' ' ' ASP . . . 56.39 41.71 28.59 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.136 0.493 . . . . 0.0 111.092 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -73.92 98.69 3.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.9 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -86.02 74.46 10.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.353 0.597 . . . . 0.0 109.411 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -65.23 140.99 58.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.867 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -96.3 75.91 2.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.974 -176.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -74.62 99.67 3.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.155 -177.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 30.6 m -96.7 -18.49 19.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.72 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.74 73.37 2.63 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.306 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -71.09 101.89 2.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.815 0.341 . . . . 0.0 110.483 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -83.23 87.12 6.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.161 0.505 . . . . 0.0 110.093 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 42.5 t -92.53 -46.47 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.272 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -130.39 150.5 51.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.363 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -101.98 14.65 31.36 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -76.67 71.24 3.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.275 -176.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -99.14 -3.43 34.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.45 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.6 mt -74.01 -33.48 63.8 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.383 -177.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.17 -34.65 70.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.108 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -70.96 -16.99 62.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.154 0.502 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -88.17 -17.78 30.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.43 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.99 61.09 1.12 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.959 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -105.75 22.02 16.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.645 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.15 106.13 0.69 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.981 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -96.38 -29.69 3.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.07 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.73 -125.03 3.03 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.144 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.6 m -155.6 129.02 8.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.886 0.374 . . . . 0.0 110.699 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -80.05 131.99 35.89 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.881 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -79.96 131.53 35.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.022 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.6 95.19 0.46 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 121.058 -0.592 . . . . 0.0 111.658 177.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.0 134.24 33.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.872 0.368 . . . . 0.0 110.779 -177.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.518 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 38.0 mm -119.69 112.34 36.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.828 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -116.36 155.02 17.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.117 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -154.89 138.02 5.93 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.841 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.02 125.95 34.65 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 51.0 ttm -115.81 132.81 56.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.006 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.6 t -125.09 127.12 72.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.596 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.59 146.35 18.3 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.948 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.2 139.77 7.91 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.264 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -129.57 130.06 66.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 47.6 t -125.96 117.45 48.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.506 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 54.8 mt -116.64 123.11 71.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.959 177.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.778 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.942 -179.589 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.59 105.2 17.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.126 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -94.99 142.52 27.38 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.367 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -133.63 12.88 4.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.298 -175.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -78.47 43.64 0.48 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.145 0.498 . . . . 0.0 111.443 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -63.09 -40.81 98.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.286 0.565 . . . . 0.0 109.753 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -116.87 155.4 29.1 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.353 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 25.5 m -150.52 104.33 3.2 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.746 0.308 . . . . 0.0 110.269 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.67 108.24 1.74 Allowed Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.484 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' C' ' 40' ' ' VAL . 43.7 p90 -139.7 152.64 46.84 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.981 0.42 . . . . 0.0 111.128 -177.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -138.89 144.99 39.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.822 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 23.5 m -107.26 134.21 49.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.315 0.578 . . . . 0.0 111.009 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -130.03 146.71 51.72 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -155.7 148.52 24.23 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.802 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -133.5 134.06 42.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.529 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -139.69 136.92 34.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.807 0.337 . . . . 0.0 110.938 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 95.8 mt -137.16 121.18 17.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.018 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 60.7 t -112.66 117.02 54.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -119.6 133.62 55.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.239 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -133.75 128.8 35.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.107 0.479 . . . . 0.0 110.313 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.37 129.67 41.66 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.382 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -110.68 155.72 22.04 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 58.13 56.32 4.64 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.455 0.472 . . . . 0.0 110.997 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.588 HG22 ' O ' ' C' ' 28' ' ' LYS . 30.2 m -79.06 52.59 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.382 0.611 . . . . 0.0 112.109 -176.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.12 9.38 82.35 Favored Glycine 0 CA--C 1.509 -0.3 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 5.6 p -169.49 176.13 5.17 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -176.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -77.83 57.41 1.69 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.317 0.58 . . . . 0.0 109.588 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.588 ' O ' HG22 ' C' ' 24' ' ' VAL . 49.2 mtpt -140.91 139.32 34.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.96 -176.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.37 148.47 17.53 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.354 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.0 130.65 48.67 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.921 0.391 . . . . 0.0 111.138 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 12.2 tt -122.73 130.15 74.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.121 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 73.5 mt -122.43 121.85 64.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.422 -177.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.31 127.96 7.63 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 61.9 tp -136.81 125.08 23.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.737 0.303 . . . . 0.0 110.439 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 23.5 ptp -143.92 141.15 30.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.753 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 7.7 p -141.22 136.46 33.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.377 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.76 135.8 10.66 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.795 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.95 141.47 12.81 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 47.7 t -129.09 131.66 67.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.837 0.351 . . . . 0.0 110.924 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' C' ' 10' ' ' TYR . 60.3 t -91.94 110.93 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 174.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 60.6 mt -111.69 117.75 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.475 0.179 . . . . 0.0 111.376 -174.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.692 -0.671 . . . . 0.0 110.512 175.621 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 119.825 -0.131 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.56 41.77 28.13 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.099 0.476 . . . . 0.0 111.094 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -74.46 98.84 3.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.858 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -86.0 74.95 10.03 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -65.75 141.32 58.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.771 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -96.66 75.69 2.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.787 -176.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -74.33 99.58 3.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.165 -177.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 24.9 m -96.29 -18.64 19.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.224 0.535 . . . . 0.0 110.703 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.94 73.31 2.65 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.316 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -70.89 101.87 2.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.704 0.287 . . . . 0.0 110.443 177.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -83.19 86.58 7.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.286 0.565 . . . . 0.0 110.224 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 42.6 t -91.93 -46.5 14.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.298 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -130.33 150.5 51.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.312 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -101.7 14.52 31.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.18 0.514 . . . . 0.0 109.616 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -76.69 71.44 3.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.253 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -99.47 -2.93 34.77 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.591 177.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 79.0 mt -74.41 -33.41 62.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.426 -177.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.15 -34.82 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.095 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -70.78 -16.87 62.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.093 0.473 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -88.13 -18.01 29.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.338 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.86 61.08 1.13 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.938 0.399 . . . . 0.0 111.059 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -105.98 22.23 15.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.596 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.03 106.45 0.71 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.953 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 59.0 t -97.07 -29.03 3.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.285 0.565 . . . . 0.0 110.136 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.53 -124.9 3.26 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.973 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 52.4 m -155.72 129.13 8.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.781 0.324 . . . . 0.0 110.638 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -80.24 132.26 35.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.769 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -80.38 131.64 35.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.814 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.71 95.26 0.46 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.535 176.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.77 134.4 33.94 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.699 0.285 . . . . 0.0 110.654 -176.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.506 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 38.3 mm -119.94 112.26 36.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.868 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -116.3 155.21 17.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.758 0.313 . . . . 0.0 111.05 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.13 138.01 5.89 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.112 -0.566 . . . . 0.0 111.842 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.15 126.12 34.83 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 50.6 ttm -115.95 132.94 56.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -177.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 46.9 t -125.31 126.88 71.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.672 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.39 146.46 18.37 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.725 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.37 139.46 7.66 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.208 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -129.34 130.18 67.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 47.4 t -125.9 117.43 48.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.518 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 54.7 mt -116.59 123.28 71.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.011 177.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.016 -179.338 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.17 134.01 54.2 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.262 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -80.36 99.16 7.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.974 0.416 . . . . 0.0 110.642 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -80.31 62.91 4.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.534 0.683 . . . . 0.0 109.611 177.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.488 ' HB3' ' OD1' ' A' ' 7' ' ' ASP . 65.1 mtp180 -104.7 136.59 43.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.516 -174.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -115.97 -9.76 11.71 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.682 0.754 . . . . 0.0 109.557 169.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.488 ' OD1' ' HB3' ' A' ' 5' ' ' ARG . 0.9 OUTLIER 55.21 51.34 13.37 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 113.853 -1.521 . . . . 0.0 112.587 172.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.6 m 62.84 46.81 4.83 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.67 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.22 71.34 2.46 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.589 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -148.19 152.54 37.42 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -135.07 134.62 40.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.98 -178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.5 p -94.88 136.89 24.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.279 0.561 . . . . 0.0 111.02 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -125.03 152.38 44.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.181 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -144.95 149.05 34.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.83 0.348 . . . . 0.0 110.732 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -143.09 132.08 22.94 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -132.17 138.95 48.21 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.901 0.382 . . . . 0.0 110.456 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.8 mt -134.31 128.16 33.21 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.67 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.8 m -122.11 132.0 71.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.968 0.413 . . . . 0.0 110.918 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.465 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 62.4 m-85 -123.55 131.07 53.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.854 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -124.0 111.34 15.88 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.132 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.5 129.29 54.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.866 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -129.05 -32.9 2.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.444 0.64 . . . . 0.0 110.456 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -83.91 4.59 28.85 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.322 -178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.6 m -87.42 0.87 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.656 -178.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.0 171.93 34.5 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.975 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -73.27 87.02 1.46 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.8 t30 57.47 55.99 5.32 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.012 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -123.83 144.69 49.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.402 -177.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.96 112.89 3.18 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.342 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.32 128.97 56.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.886 0.374 . . . . 0.0 110.134 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 59.8 mt -129.98 120.36 49.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.144 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' HB ' ' HB2' ' A' ' 19' ' ' PHE . 70.7 mt -117.8 123.31 71.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.197 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.18 127.23 6.56 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.643 176.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.4 mt -124.39 126.04 45.3 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtt -132.19 117.95 18.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.997 0.427 . . . . 0.0 110.827 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -116.36 131.77 67.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.475 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.81 130.8 7.56 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.29 164.53 26.22 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.369 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.6 t -138.66 127.27 29.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.751 0.31 . . . . 0.0 110.346 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 p -97.17 113.2 30.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.304 0.573 . . . . 0.0 109.822 174.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.0 mt -105.12 118.05 51.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.02 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.545 -178.843 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.31 37.86 3.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.163 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -82.21 61.65 5.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 109.996 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -82.67 109.94 17.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.178 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -132.65 147.5 52.34 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.314 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -89.5 74.77 7.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.034 0.445 . . . . 0.0 109.906 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.76 -32.78 46.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.827 -178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.3 m -137.38 144.32 42.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.185 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.43 139.69 4.44 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.222 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 57.94 51.21 9.25 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.146 0.498 . . . . 0.0 110.006 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -64.63 160.0 20.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.387 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 t 65.83 50.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 121.971 0.891 . . . . 0.0 109.701 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -112.44 96.29 5.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.862 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -152.31 138.38 18.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.181 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -87.48 136.75 32.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -112.22 77.03 1.01 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.511 175.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.99 -38.52 86.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 -175.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.3 p -63.54 -29.98 48.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.99 0.424 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -74.38 -33.87 63.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.531 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -87.84 -11.24 48.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.411 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.24 -54.43 4.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 53.42 59.39 4.4 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.373 0.421 . . . . 0.0 111.144 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -76.3 52.27 0.75 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.301 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 50.6 t -119.27 -75.35 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.806 0.336 . . . . 0.0 110.184 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.1 48.39 3.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.652 178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -88.57 26.51 1.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.973 0.416 . . . . 0.0 111.12 -176.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -148.99 88.14 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.098 0.475 . . . . 0.0 110.047 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -112.43 14.1 20.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.01 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.25 162.51 29.49 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.637 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.15 139.76 21.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.897 0.38 . . . . 0.0 110.777 -178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 66.7 mt -120.36 113.03 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -117.07 155.75 18.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.929 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.37 130.45 3.08 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.005 178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 62.7 tp -107.11 127.38 53.44 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 63.2 mtt -111.16 122.05 46.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.54 -177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 64.5 t -127.38 126.25 67.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 175.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.449 ' O ' HD12 ' D' ' 34' ' ' LEU . . . -141.34 154.33 24.54 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.092 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.65 139.46 9.71 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.858 -0.686 . . . . 0.0 111.833 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 60.1 t -123.65 129.57 74.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.49 113.74 34.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.696 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 59.5 mt -116.85 109.16 26.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.71 0.291 . . . . 0.0 110.239 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.785 178.621 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.2 134.19 54.17 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.294 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -80.52 98.83 7.76 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.957 0.408 . . . . 0.0 110.624 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -79.76 63.5 4.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.515 0.674 . . . . 0.0 109.628 176.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . 0.494 ' HB3' ' OD1' ' C' ' 7' ' ' ASP . 64.9 mtp180 -105.25 136.76 44.18 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.651 -174.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -116.44 -9.57 11.44 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.436 0.636 . . . . 0.0 109.442 169.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . 0.494 ' OD1' ' HB3' ' C' ' 5' ' ' ARG . 0.8 OUTLIER 55.42 50.42 14.8 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 114.047 -1.433 . . . . 0.0 112.682 172.406 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 46.2 m 64.13 46.8 3.52 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.51 71.46 2.51 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.458 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -148.48 152.76 37.45 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 176.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -135.45 135.07 40.24 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.875 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 12.1 p -95.49 136.83 25.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.293 0.568 . . . . 0.0 110.951 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -125.06 153.11 43.4 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.059 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -146.0 148.67 32.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.936 0.398 . . . . 0.0 110.7 177.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -142.84 132.12 23.37 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -132.11 138.66 48.18 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.76 0.314 . . . . 0.0 110.484 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -133.93 128.31 34.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.774 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 15.8 m -122.13 132.03 71.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 120.977 0.418 . . . . 0.0 110.955 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.477 ' HB2' ' HB ' ' C' ' 32' ' ' ILE . 61.5 m-85 -123.62 130.81 53.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.945 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -123.78 110.96 15.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.218 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.31 129.31 54.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.855 0.359 . . . . 0.0 110.783 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -129.22 -32.86 1.98 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.455 0.645 . . . . 0.0 110.384 -177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -84.01 4.58 29.31 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.354 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 28.9 m -87.21 0.75 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.596 -178.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.47 172.66 34.25 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.003 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 23.2 t -73.93 87.24 1.8 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 67.0 t30 57.1 55.95 5.62 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.171 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -123.77 144.52 49.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.294 -177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.63 113.17 3.29 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.34 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.39 128.83 56.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.927 0.394 . . . . 0.0 110.175 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 60.0 mt -130.01 120.3 49.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.168 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.477 ' HB ' ' HB2' ' C' ' 19' ' ' PHE . 70.0 mt -117.75 123.11 71.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.223 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.23 126.97 6.45 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.665 -0.778 . . . . 0.0 111.643 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 69.1 mt -124.14 126.57 46.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtt -133.04 117.49 17.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.014 0.435 . . . . 0.0 110.888 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 41.6 t -115.96 131.92 67.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.378 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.81 130.46 7.43 Favored Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 175.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.99 164.57 26.11 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.31 -0.947 . . . . 0.0 112.414 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 62.4 t -138.52 127.49 31.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.684 0.278 . . . . 0.0 110.307 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 p -97.28 112.99 30.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.291 0.567 . . . . 0.0 109.895 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 52.7 mt -105.06 117.61 51.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.109 -178.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.534 -178.596 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.87 37.48 4.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.152 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -81.99 61.59 5.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.602 0.715 . . . . 0.0 110.058 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -82.43 110.18 17.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.102 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -132.83 147.32 52.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.322 -177.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -89.15 75.22 7.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.154 0.502 . . . . 0.0 109.868 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -79.17 -32.37 44.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.833 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 22.0 m -137.85 144.5 41.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.332 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.14 139.48 4.43 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.182 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 58.39 50.84 8.9 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.141 0.496 . . . . 0.0 109.952 -177.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -64.31 160.11 19.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.356 -176.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 t 65.68 49.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 122.209 1.004 . . . . 0.0 109.717 -178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -111.77 96.05 5.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.799 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -151.88 138.35 18.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.363 -177.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -87.22 136.97 32.73 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -112.37 76.86 1.0 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.572 174.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.63 -38.91 86.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.077 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.26 -30.04 48.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.012 0.434 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -74.16 -34.07 63.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.595 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -87.8 -11.09 49.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.309 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.11 -55.02 4.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 53.88 59.39 4.31 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.46 0.475 . . . . 0.0 111.184 -178.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -76.31 52.56 0.77 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.312 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 50.4 t -119.33 -75.26 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.827 0.346 . . . . 0.0 110.141 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.47 48.95 3.15 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.807 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 5.5 m -88.89 26.41 1.55 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.023 0.44 . . . . 0.0 111.014 -176.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -148.77 87.75 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.226 0.536 . . . . 0.0 110.1 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -111.98 14.36 20.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.192 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.18 162.38 29.54 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.592 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -150.3 140.22 21.91 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.736 0.303 . . . . 0.0 110.731 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 67.4 mt -120.68 112.76 37.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 176.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pp -116.89 155.82 18.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.988 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -152.06 130.64 3.16 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.11 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.449 HD12 ' O ' ' B' ' 37' ' ' GLY . 63.1 tp -107.21 127.58 53.65 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 63.3 mtt -111.16 122.24 47.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.485 -177.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 66.3 t -127.93 125.85 65.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.97 154.72 24.6 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.229 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.9 139.65 9.8 Favored Glycine 0 N--CA 1.442 -0.92 0 C-N-CA 120.766 -0.73 . . . . 0.0 111.973 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 58.0 t -123.65 129.42 74.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 62.1 t -126.23 113.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.792 175.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 59.7 mt -116.65 109.14 26.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.703 0.287 . . . . 0.0 110.288 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.238 -0.886 . . . . 0.0 109.915 178.756 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.91 49.53 7.72 Favored 'General case' 0 C--N 1.332 -0.164 0 O-C-N 123.828 0.705 . . . . 0.0 111.024 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -78.49 127.34 32.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.666 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -125.49 85.2 2.37 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -87.59 29.07 0.91 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.539 -175.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -119.87 33.53 5.58 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -83.68 -53.17 5.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.89 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.8 t -125.53 111.14 14.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.256 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.67 92.11 1.78 Allowed Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.968 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -134.61 153.3 52.03 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -105.62 149.02 26.69 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 m -116.59 133.88 61.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.222 0.534 . . . . 0.0 111.061 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -116.55 134.59 54.66 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.498 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 50.2 t60 -164.62 136.46 4.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -157.03 137.83 13.32 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.975 177.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -126.04 126.94 45.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -134.15 136.85 44.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.769 0.319 . . . . 0.0 111.174 -174.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.0 t -131.21 119.27 43.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.573 176.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -113.23 141.54 46.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.043 0.449 . . . . 0.0 110.9 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -94.69 127.67 40.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.583 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.19 163.33 29.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.904 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 68.4 -76.86 0.05 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.524 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.501 ' OD2' ' HG3' ' A' ' 28' ' ' LYS . 16.5 t70 -139.31 -76.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.425 -173.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.639 ' H ' ' HA3' ' A' ' 29' ' ' GLY . 23.6 t 64.61 61.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.892 0.853 . . . . 0.0 110.598 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.86 -116.83 0.77 Allowed Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.2 172.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.7 m -89.69 -42.66 11.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.87 0.367 . . . . 0.0 110.789 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -151.38 36.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.633 -176.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.501 ' HG3' ' OD2' ' A' ' 23' ' ' ASP . 22.5 pttp -150.05 152.74 35.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.791 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.639 ' HA3' ' H ' ' A' ' 24' ' ' VAL . . . 119.32 -161.06 14.08 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.525 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.55 129.35 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.972 0.415 . . . . 0.0 110.559 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -124.11 123.9 67.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.893 179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.447 HG22 HG13 ' B' ' 39' ' ' VAL . 32.8 pt -112.32 122.51 66.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.047 0.451 . . . . 0.0 110.453 177.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.41 129.11 7.02 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.869 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.1 mt -133.95 139.56 46.19 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 -177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ptm -141.65 136.87 31.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.855 0.36 . . . . 0.0 110.703 176.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 14' ' ' HIS . 60.8 t -130.36 139.68 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.416 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.08 134.47 6.17 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.81 164.67 31.33 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.47 -0.871 . . . . 0.0 113.084 -177.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.36 130.47 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 122.615 0.366 . . . . 0.0 110.242 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.17 106.55 20.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.067 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 56.2 mt -100.19 105.48 17.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.526 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.466 -0.778 . . . . 0.0 110.489 -179.396 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.1 t70 . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 120.739 0.304 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.29 63.97 4.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.447 -177.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.5 ' OE1' ' HD3' ' B' ' 5' ' ' ARG . 42.3 tt0 -100.47 125.02 46.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.78 177.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -126.24 44.9 2.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.118 0.485 . . . . 0.0 110.066 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.5 ' HD3' ' OE1' ' B' ' 3' ' ' GLU . 60.4 mtp180 -82.33 54.72 2.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.882 -177.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -108.0 94.33 5.02 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.54 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -77.37 155.62 31.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.365 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 46.6 m -151.11 146.64 26.29 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.403 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.08 -88.12 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.189 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 61.51 40.45 13.71 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.273 0.558 . . . . 0.0 110.803 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -82.77 58.04 4.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.191 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 34.3 m -92.24 9.06 4.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.234 -177.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -90.7 137.27 32.49 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -125.31 66.25 1.14 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.117 0.484 . . . . 0.0 110.098 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -64.76 -41.73 95.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.274 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -68.88 -33.34 73.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.909 0.385 . . . . 0.0 110.441 -178.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.67 -30.97 71.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.983 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.1 -29.53 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.91 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -79.01 -19.01 52.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -87.52 -44.16 11.49 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.931 175.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -160.64 132.64 5.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.788 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -122.19 143.24 49.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.065 0.459 . . . . 0.0 111.409 -176.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -141.23 141.1 34.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.045 173.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.7 t -131.49 89.62 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.979 0.419 . . . . 0.0 110.116 -178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.58 -59.7 0.71 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.918 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 34.5 m -90.46 76.49 6.64 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.019 0.437 . . . . 0.0 110.33 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -95.08 142.41 27.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.279 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -154.51 149.79 27.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.179 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.26 104.56 2.32 Favored Glycine 0 N--CA 1.443 -0.877 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.72 125.84 19.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.056 0.455 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 65.8 mt -127.98 112.69 28.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.741 176.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.19 131.32 72.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.38 131.25 4.95 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.815 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.5 mt -115.38 143.93 44.55 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ptm -135.83 139.02 43.12 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.088 0.47 . . . . 0.0 110.889 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 11.9 p -149.15 147.16 16.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.899 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.77 176.7 41.18 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.273 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.83 147.0 16.3 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.159 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.447 HG13 HG22 ' A' ' 32' ' ' ILE . 58.3 t -122.86 129.85 74.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -125.54 115.77 44.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.132 0.492 . . . . 0.0 110.642 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 52.9 mt -117.68 123.0 71.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.477 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.322 -0.847 . . . . 0.0 109.907 176.855 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.49 50.38 7.56 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.69 0.619 . . . . 0.0 111.211 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -79.38 127.28 31.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.62 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -125.63 84.67 2.3 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -87.25 28.84 0.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.578 -175.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -119.68 33.8 5.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 175.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -84.11 -52.31 6.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.93 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 23.3 t -126.31 110.84 13.84 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.371 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.55 92.02 1.77 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.088 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -134.7 153.02 52.18 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -105.41 149.15 26.38 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 m -116.51 134.08 61.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.186 0.517 . . . . 0.0 111.075 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -116.57 134.68 54.55 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . 0.486 ' HA ' ' O ' ' C' ' 36' ' ' VAL . 50.1 t60 -164.57 136.49 4.53 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -157.01 137.84 13.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.036 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -126.1 126.68 44.58 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -133.77 137.2 45.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.774 0.321 . . . . 0.0 111.255 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 91.6 t -131.64 118.84 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.738 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -112.91 141.7 46.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.145 0.498 . . . . 0.0 110.901 -177.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -94.93 127.67 41.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.509 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.23 162.69 31.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.932 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 69.06 -77.15 0.05 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.176 0.591 . . . . 0.0 111.413 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.508 ' OD2' ' HG3' ' C' ' 28' ' ' LYS . 16.3 t70 -138.87 -75.7 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.588 -173.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.65 ' H ' ' HA3' ' C' ' 29' ' ' GLY . 23.5 t 64.29 61.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.723 0.773 . . . . 0.0 110.552 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.94 -116.79 0.78 Allowed Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.193 172.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 22.0 m -89.73 -42.8 11.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.805 0.336 . . . . 0.0 110.726 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -151.01 36.3 0.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.725 -176.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.508 ' HG3' ' OD2' ' C' ' 23' ' ' ASP . 22.5 pttp -149.9 153.0 35.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.737 -0.211 . . . . 0.0 110.701 -179.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.65 ' HA3' ' H ' ' C' ' 24' ' ' VAL . . . 119.15 -160.89 14.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.443 177.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.58 129.37 51.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 110.456 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mp -124.13 123.74 67.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.459 HG22 HG13 ' D' ' 39' ' ' VAL . 32.3 pt -112.4 122.52 66.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.023 0.44 . . . . 0.0 110.428 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.39 129.55 7.19 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.798 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.4 HD23 ' HA3' ' D' ' 37' ' ' GLY . 70.7 mt -134.28 139.64 45.87 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -177.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ptm -141.66 137.03 31.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.992 0.425 . . . . 0.0 110.487 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' C' ' 14' ' ' HIS . 60.1 t -130.46 139.54 51.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.344 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.7 135.0 6.51 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 177.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.52 164.44 31.59 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.232 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 57.4 t -125.88 130.56 72.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 122.519 0.328 . . . . 0.0 110.299 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 58.9 t -110.05 106.51 20.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.178 179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 55.6 mt -100.05 105.71 18.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.527 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.31 -179.545 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.72 0.295 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.5 64.13 4.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.025 0.441 . . . . 0.0 111.291 -177.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.51 ' OE1' ' HD3' ' D' ' 5' ' ' ARG . 42.2 tt0 -100.5 125.29 46.82 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.735 177.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -126.48 44.21 2.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.151 0.5 . . . . 0.0 110.131 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . 0.51 ' HD3' ' OE1' ' D' ' 3' ' ' GLU . 60.4 mtp180 -81.64 54.29 2.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.116 -177.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -107.77 94.29 5.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.564 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -77.26 156.08 31.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.481 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 42.3 m -151.83 145.95 25.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.521 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.26 -88.34 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.235 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 62.01 40.14 12.52 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.286 0.565 . . . . 0.0 110.776 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -82.42 57.58 3.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.296 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 34.2 m -92.12 9.26 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.265 -177.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -90.73 137.0 32.7 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -124.87 66.18 1.11 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.04 0.448 . . . . 0.0 110.343 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -64.09 -42.1 97.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.425 -177.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -68.79 -33.2 73.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.889 0.376 . . . . 0.0 110.414 -178.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 50.8 tp -62.89 -30.93 71.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.835 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.14 -29.94 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.747 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -78.5 -19.15 53.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -87.46 -43.5 12.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.002 0.429 . . . . 0.0 110.115 175.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.12 133.08 5.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.752 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -122.53 143.06 49.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.123 0.487 . . . . 0.0 111.411 -176.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -141.24 141.42 34.01 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 173.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 38.7 t -131.69 89.36 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.031 0.443 . . . . 0.0 110.19 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.3 -59.09 0.73 Allowed Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.64 -0.79 . . . . 0.0 111.809 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 37.2 m -91.09 76.46 6.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.134 0.492 . . . . 0.0 110.291 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -94.94 142.43 27.48 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.376 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' D' ' 29' ' ' GLY . 79.1 tttt -154.71 149.54 26.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.291 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.407 ' N ' ' HG2' ' D' ' 28' ' ' LYS . . . 117.57 103.99 2.26 Favored Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 111.489 -0.645 . . . . 0.0 111.489 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.15 126.02 20.95 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.023 0.439 . . . . 0.0 110.821 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 65.9 mt -128.12 112.74 27.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.668 176.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.24 131.51 71.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.52 131.34 4.96 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.951 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -115.56 143.61 45.08 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 25.8 ptm -135.58 139.15 43.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 11.9 p -149.19 146.92 16.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.944 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.4 ' HA3' HD23 ' C' ' 34' ' ' LEU . . . -165.69 177.04 41.06 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.377 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.08 146.95 16.16 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.207 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.459 HG13 HG22 ' C' ' 32' ' ' ILE . 58.5 t -122.91 129.88 74.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 m -125.66 115.64 43.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.073 0.463 . . . . 0.0 110.663 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 52.8 mt -117.73 123.19 71.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.497 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.973 176.861 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 120.607 0.241 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.04 26.53 4.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.46 ' CD ' ' HE ' ' A' ' 5' ' ' ARG . 9.9 tp10 -162.33 143.29 10.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.959 -177.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -166.52 113.72 0.85 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.097 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.46 ' HE ' ' CD ' ' A' ' 3' ' ' GLU . 80.7 mtt180 -134.17 112.51 11.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.866 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -93.86 -43.53 8.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -176.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -109.44 -171.39 1.83 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.98 -174.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.3 t 66.34 38.24 4.5 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.002 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.28 -54.12 0.27 Allowed Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.331 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -158.04 160.0 36.95 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.613 -0.345 . . . . 0.0 111.007 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -145.19 136.83 25.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.511 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.44 HG12 HG22 ' A' ' 39' ' ' VAL . 18.2 m -98.06 152.32 4.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -135.0 147.53 49.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.627 0.251 . . . . 0.0 110.608 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -154.96 141.26 18.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.547 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -154.95 154.58 32.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.102 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -141.77 140.66 33.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.251 179.459 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.6 mt -134.29 135.42 42.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.029 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -124.88 125.24 69.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.868 0.366 . . . . 0.0 110.613 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.483 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . 68.6 m-85 -115.04 142.38 46.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.67 177.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -134.74 133.31 39.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.317 -175.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' HB1' ' OD1' ' A' ' 23' ' ' ASP . . . -137.73 133.89 34.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.314 -177.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -108.06 3.11 23.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.281 0.562 . . . . 0.0 110.303 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.407 ' OD1' ' HB1' ' A' ' 21' ' ' ALA . 9.0 p-10 -95.88 10.56 36.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.58 -174.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.4 p -85.53 68.33 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-O 122.4 1.095 . . . . 0.0 110.55 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.59 -164.0 12.23 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.634 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.7 m -71.68 -50.27 32.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.913 0.387 . . . . 0.0 110.204 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -151.06 78.96 1.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.05 0.452 . . . . 0.0 110.592 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -141.54 155.59 45.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.733 175.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.97 135.51 11.46 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.318 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.3 129.47 56.27 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.826 0.346 . . . . 0.0 110.621 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.7 mt -115.36 117.99 57.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.849 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.483 ' HB ' ' HB2' ' A' ' 19' ' ' PHE . 50.7 mt -113.01 115.04 48.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.106 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.8 128.14 7.88 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.27 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -121.23 127.14 51.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.692 0.282 . . . . 0.0 110.283 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 85.1 mtp -123.8 120.95 34.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.404 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -119.28 134.01 64.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.767 0.318 . . . . 0.0 110.693 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.91 137.63 6.18 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.22 171.29 38.07 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.116 -1.04 . . . . 0.0 112.835 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.44 HG22 HG12 ' A' ' 12' ' ' VAL . 47.1 t -127.31 128.3 70.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -178.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t -112.39 109.45 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.328 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.445 HD12 ' HB3' ' B' ' 30' ' ' ALA . 41.3 mt -101.92 128.03 54.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.954 177.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.179 -175.288 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.6 46.26 12.18 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.238 -175.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -62.59 132.24 51.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.851 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -106.87 -24.91 11.89 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.197 0.522 . . . . 0.0 109.778 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -72.93 109.28 6.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.369 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 33.0 m170 60.72 37.87 18.7 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.998 176.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -97.61 -65.79 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.035 0.445 . . . . 0.0 110.468 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 12.3 p -88.77 -67.68 0.82 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.116 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.0 -145.36 11.92 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.089 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -85.22 79.76 9.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.868 0.366 . . . . 0.0 110.467 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -86.22 138.46 31.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.077 0.465 . . . . 0.0 111.082 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.8 m -122.79 33.49 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.309 174.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -82.34 65.24 7.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.881 -174.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -95.0 75.5 3.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.37 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -139.01 -69.46 0.43 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.565 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -87.93 26.09 1.42 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.515 -172.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.92 -36.49 80.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.98 0.419 . . . . 0.0 110.11 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 23.0 m -74.56 -23.6 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.862 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -78.42 -20.25 51.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.341 0.591 . . . . 0.0 109.783 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -87.73 -12.03 46.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.061 178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.8 68.36 7.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.718 -175.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -73.34 118.73 16.65 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.023 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -92.54 23.16 4.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.333 0.587 . . . . 0.0 110.275 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.83 157.01 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.283 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -126.15 -156.26 9.2 Favored Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.667 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -97.9 166.38 11.48 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -168.29 101.43 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 65.86 56.4 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.722 0.639 . . . . 0.0 109.956 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.43 -44.48 77.15 Favored Glycine 0 N--CA 1.451 -0.3 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.769 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.445 ' HB3' HD12 ' A' ' 41' ' ' ILE . . . -169.92 126.96 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.358 . . . . 0.0 110.744 176.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.549 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 48.3 mm -119.58 112.76 38.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.34 133.86 49.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.944 0.402 . . . . 0.0 110.386 -178.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.55 132.92 5.34 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.965 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -118.79 132.04 56.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.81 0.338 . . . . 0.0 110.285 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ttt -128.43 121.92 30.11 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.539 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 50.9 t -109.21 126.33 66.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.12 135.64 8.93 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.634 -0.793 . . . . 0.0 111.471 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.66 139.95 10.11 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.373 -0.918 . . . . 0.0 112.297 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 27.0 m -121.82 131.23 73.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.105 0.478 . . . . 0.0 110.699 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -124.72 113.6 36.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.642 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 70.6 mt -113.93 110.58 32.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.387 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.775 179.143 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.485 1.283 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.77 26.21 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.861 0.363 . . . . 0.0 110.923 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.454 ' CD ' ' HE ' ' C' ' 5' ' ' ARG . 9.9 tp10 -161.71 144.08 11.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.85 -178.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -166.94 113.79 0.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.24 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . 0.454 ' HE ' ' CD ' ' C' ' 3' ' ' GLU . 80.3 mtt180 -134.13 112.4 11.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.905 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -93.72 -44.0 8.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -176.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.06 -171.5 1.86 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.882 -174.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 24.5 t 66.67 38.45 3.97 Favored 'General case' 0 C--O 1.231 0.104 0 O-C-N 123.783 0.677 . . . . 0.0 109.812 -177.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.68 -54.08 0.26 Allowed Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.298 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -157.41 160.88 38.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.952 0.405 . . . . 0.0 111.084 -178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -146.0 136.4 23.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.499 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.436 HG12 HG22 ' C' ' 39' ' ' VAL . 17.5 m -97.25 152.34 4.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.373 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -135.16 147.26 49.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.605 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -154.57 141.61 19.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.52 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -155.16 154.58 32.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.124 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' C' ' 16' ' ' LYS . 0.0 OUTLIER -141.76 140.37 33.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.483 179.456 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 91.1 mt -134.08 135.48 43.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.913 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -125.07 125.69 69.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.883 0.373 . . . . 0.0 110.422 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.478 ' HB2' ' HB ' ' C' ' 32' ' ' ILE . 68.9 m-85 -115.59 142.39 46.8 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 177.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -134.74 133.44 39.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.276 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.405 ' HB1' ' OD1' ' C' ' 23' ' ' ASP . . . -137.75 133.74 34.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.236 -177.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -107.72 2.94 24.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.329 0.585 . . . . 0.0 110.311 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.405 ' OD1' ' HB1' ' C' ' 21' ' ' ALA . 9.2 p-10 -95.89 10.81 35.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.565 -174.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p -85.73 68.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 122.379 1.085 . . . . 0.0 110.655 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.82 -163.88 12.28 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.49 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 19.2 m -71.93 -49.93 33.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.828 0.347 . . . . 0.0 110.248 177.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -151.17 79.51 1.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.598 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -141.75 155.65 45.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.783 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.62 135.38 11.47 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.197 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.19 129.59 56.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.897 0.379 . . . . 0.0 110.649 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 47.1 mt -115.42 117.68 56.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.901 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.478 ' HB ' ' HB2' ' C' ' 19' ' ' PHE . 51.1 mt -112.85 115.13 48.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.044 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.91 128.24 7.92 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.372 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -121.45 126.79 50.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.683 0.278 . . . . 0.0 110.37 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 85.9 mtp -123.54 121.04 34.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.423 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -119.38 134.05 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.734 0.302 . . . . 0.0 110.642 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.74 137.49 6.12 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.15 171.29 38.01 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.803 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.436 HG22 HG12 ' C' ' 12' ' ' VAL . 46.9 t -127.18 128.51 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -178.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 88.7 t -112.63 109.51 28.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.266 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.449 HD12 ' HB3' ' D' ' 30' ' ' ALA . 41.1 mt -102.02 127.95 55.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.027 177.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.989 -175.335 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.63 46.59 11.66 Favored 'General case' 0 C--O 1.23 0.072 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.26 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -62.81 132.24 51.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.842 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -106.86 -24.67 11.98 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.261 0.553 . . . . 0.0 109.867 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -73.04 108.94 6.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.37 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 33.2 m170 61.14 37.58 17.53 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.935 176.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -97.36 -66.04 0.93 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.999 0.428 . . . . 0.0 110.484 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 12.3 p -88.66 -67.59 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.17 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.97 -145.45 12.08 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.057 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -85.11 79.48 9.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.866 0.365 . . . . 0.0 110.503 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -85.97 138.54 31.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.123 0.487 . . . . 0.0 110.994 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 25.1 m -122.95 33.22 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.278 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -82.04 66.08 7.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.67 -174.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -95.75 75.67 3.19 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.45 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -139.5 -69.15 0.42 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.603 -177.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -88.16 25.68 1.56 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.561 -172.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 81.7 mt -67.45 -36.67 81.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.048 0.451 . . . . 0.0 110.045 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 m -74.23 -23.52 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.837 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -78.81 -20.09 50.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.291 0.567 . . . . 0.0 109.808 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -87.91 -11.97 46.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.065 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.74 68.52 7.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.665 -175.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -73.4 118.42 16.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.006 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -92.21 23.46 3.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.34 0.59 . . . . 0.0 110.313 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 34.7 m -68.08 157.01 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.195 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -125.82 -155.99 9.15 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.807 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 27.7 t -98.29 165.53 11.82 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -167.45 101.43 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.873 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 65.81 56.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.726 0.641 . . . . 0.0 109.955 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.2 -44.65 74.72 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.713 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.449 ' HB3' HD12 ' C' ' 41' ' ' ILE . . . -169.7 126.85 0.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.767 0.318 . . . . 0.0 110.848 176.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 mm -119.71 112.8 38.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.56 133.76 49.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.939 0.4 . . . . 0.0 110.376 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.52 133.16 5.46 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.754 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 89.5 mt -119.16 131.98 55.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.862 0.363 . . . . 0.0 110.175 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 26.9 ttt -128.38 121.91 30.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.541 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 51.0 t -109.09 126.24 66.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.07 135.54 8.88 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.375 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.67 139.79 9.97 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.353 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -121.77 131.31 73.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.06 0.457 . . . . 0.0 110.596 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -124.8 113.54 36.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.768 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.549 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 70.3 mt -113.99 110.74 33.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.487 -0.768 . . . . 0.0 109.839 179.097 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.777 0.322 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.43 125.55 29.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.401 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 60.69 37.28 19.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.112 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -141.32 131.94 25.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.666 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -144.96 142.45 29.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.978 0.418 . . . . 0.0 110.806 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -154.51 -58.91 0.11 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.633 176.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -97.11 -43.78 7.25 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.318 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.3 p -84.05 146.11 28.12 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.665 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.56 -63.33 0.49 Allowed Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.1 p90 -162.43 152.48 16.43 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -113.42 145.23 41.48 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -124.8 113.89 38.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.16 0.505 . . . . 0.0 110.486 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -117.93 134.3 55.09 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -151.23 136.8 17.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.93 0.395 . . . . 0.0 110.851 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -138.63 172.99 12.06 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.71 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -146.75 157.72 43.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.909 0.385 . . . . 0.0 110.221 177.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.8 tp -139.57 132.4 29.18 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.863 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.5 p -134.22 124.74 46.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.014 0.435 . . . . 0.0 109.971 177.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -132.1 130.51 41.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.391 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -111.41 129.59 55.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.204 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.6 128.2 40.56 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -113.38 -12.86 12.94 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.361 0.601 . . . . 0.0 109.591 176.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -86.68 61.95 7.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.733 0.778 . . . . 0.0 109.202 176.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.0 m -96.07 -4.2 10.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.662 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.87 25.26 8.11 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -175.54 164.49 3.09 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -176.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -74.27 64.56 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.809 0.337 . . . . 0.0 110.586 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -133.51 143.83 49.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.153 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.64 122.49 6.64 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.685 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.47 129.27 56.09 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.003 0.43 . . . . 0.0 110.891 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.3 mt -112.93 115.44 49.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.176 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 32' ' ' ILE . 3.5 mp -102.85 115.07 44.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.36 135.42 10.93 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.105 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 tp -143.34 143.24 31.58 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ttt -145.25 122.88 11.79 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 175.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.1 t -124.51 136.36 60.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.922 0.392 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.51 133.9 6.82 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.41 138.41 10.48 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.456 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.8 t -113.76 122.26 67.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.4 t -109.01 109.5 28.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp -92.21 131.06 40.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.501 -0.761 . . . . 0.0 110.959 -177.933 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 110.738 -0.097 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.03 45.97 26.49 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.455 0.472 . . . . 0.0 111.222 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 68.13 65.83 0.35 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.755 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.09 117.46 4.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.816 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -67.2 108.58 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.177 0.513 . . . . 0.0 111.292 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -80.83 -20.81 41.6 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 169.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -69.69 100.33 1.47 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.482 169.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 12.4 t -166.55 -172.92 2.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.845 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.52 -40.15 1.35 Allowed Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -178.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -100.86 -36.2 9.15 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -83.23 58.63 4.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.657 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.6 m -135.99 166.1 27.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -151.41 97.83 2.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.324 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 0.428 ' O ' ' HG3' ' B' ' 16' ' ' LYS . 36.8 m80 -119.21 -11.33 9.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.737 -178.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -72.53 112.93 9.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.002 0.43 . . . . 0.0 110.481 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 14' ' ' HIS . 41.5 mttp -121.46 -11.96 8.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.564 -177.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.7 tp -60.21 -28.68 68.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.487 -174.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 50.1 t -61.89 -37.56 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.106 0.479 . . . . 0.0 110.689 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -86.0 -14.23 45.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.527 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -87.27 -38.48 16.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.551 -173.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.05 148.41 36.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.296 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 62.76 52.25 2.81 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 123.878 0.736 . . . . 0.0 109.912 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -90.2 159.96 16.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.564 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 9.2 p -139.88 3.78 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.717 178.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.68 -27.47 0.02 OUTLIER Glycine 0 CA--C 1.522 0.531 0 C-N-CA 119.644 -1.265 . . . . 0.0 114.355 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 37.9 t -69.5 -20.28 63.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.373 0.587 . . . . 0.0 111.406 -174.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -60.17 -41.04 92.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.567 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -162.59 141.83 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.595 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.47 116.55 3.6 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.996 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.62 142.84 20.38 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.407 ' HB ' ' HB ' ' D' ' 41' ' ' ILE . 68.4 mt -124.77 120.98 60.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.8 0.334 . . . . 0.0 110.494 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.33 131.16 69.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.117 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.59 131.05 6.35 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.028 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 94.0 mt -107.57 135.73 48.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.817 0.341 . . . . 0.0 110.145 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 67.9 mtm -124.58 121.22 34.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.168 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -124.85 135.37 64.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.09 176.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.78 165.94 31.73 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.34 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.18 141.44 6.9 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.695 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.1 t -120.3 130.19 74.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -122.06 115.27 45.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.899 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.419 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 53.2 mt -108.6 108.98 26.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.006 178.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.913 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 120.837 0.351 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.68 125.41 29.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.427 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 60.66 37.49 19.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.059 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -141.41 131.57 24.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.66 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -144.87 141.89 29.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -153.85 -59.02 0.12 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.596 176.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -97.28 -43.57 7.27 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.301 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 10.9 p -84.3 145.67 28.15 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.535 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.4 -63.05 0.48 Allowed Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -162.49 152.45 16.28 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -113.49 145.28 41.44 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -124.57 113.52 36.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.964 0.411 . . . . 0.0 110.572 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -117.41 134.63 54.62 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -151.61 136.87 17.54 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.812 0.339 . . . . 0.0 110.803 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -138.67 173.46 11.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.706 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -147.16 157.66 43.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.823 0.344 . . . . 0.0 110.187 177.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 tp -139.58 132.64 29.55 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.817 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 p -134.58 124.41 44.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.236 0.541 . . . . 0.0 110.117 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -131.85 130.58 41.89 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.411 -177.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -111.68 129.37 56.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.064 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.52 128.27 40.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.448 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -113.33 -12.61 13.01 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.424 0.63 . . . . 0.0 109.458 175.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -86.73 61.39 6.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.685 0.755 . . . . 0.0 109.345 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 35.8 m -95.64 -3.75 10.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.634 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.5 24.32 8.89 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.426 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -174.39 164.73 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -177.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -74.23 64.18 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.742 0.305 . . . . 0.0 110.924 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -133.08 144.06 49.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.174 -178.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.02 122.56 6.59 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.488 178.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.56 129.25 56.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.001 0.429 . . . . 0.0 110.878 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 84.1 mt -113.01 115.51 50.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.215 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.414 ' N ' HD12 ' C' ' 32' ' ' ILE . 3.5 mp -102.78 114.96 43.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.3 135.4 10.94 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.068 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 56.8 tp -143.33 143.34 31.64 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 25.6 ttt -145.32 122.81 11.7 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 175.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.62 136.12 61.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.822 0.344 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -136.54 133.5 6.59 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.38 138.7 10.87 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.464 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 44.9 t -114.2 122.33 68.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 61.7 t -109.04 109.49 28.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.994 -177.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . 0.403 HD12 ' N ' ' C' ' 41' ' ' ILE . 3.9 mp -92.31 130.76 40.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.61 -0.71 . . . . 0.0 110.949 -177.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 110.809 -0.071 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.86 46.32 25.95 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.347 0.405 . . . . 0.0 111.143 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 67.92 65.57 0.37 Allowed 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.859 0.724 . . . . 0.0 109.909 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -58.98 117.61 4.87 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.665 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -67.55 108.61 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.241 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -80.74 -20.73 42.12 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 169.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -69.76 100.26 1.48 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.623 -1.172 . . . . 0.0 109.529 169.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -166.59 -172.89 2.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.891 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.35 -40.61 1.32 Allowed Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -100.4 -36.3 9.28 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -83.28 58.62 4.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.633 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.75 166.51 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.036 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -151.65 97.63 2.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.413 174.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . 0.421 ' O ' ' HG3' ' D' ' 16' ' ' LYS . 36.7 m80 -118.96 -10.91 9.77 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.758 -178.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -72.54 112.77 8.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.507 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' D' ' 14' ' ' HIS . 41.4 mttp -121.41 -11.63 8.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.618 -177.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 36.4 tp -60.36 -28.85 68.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.505 -174.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 50.0 t -61.68 -37.68 78.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.112 0.482 . . . . 0.0 110.721 178.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -86.0 -14.16 45.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.487 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -87.21 -38.65 16.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.531 -173.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.16 148.01 35.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.09 -177.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 63.29 52.35 2.45 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.903 0.858 . . . . 0.0 109.781 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -90.28 160.02 16.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.493 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -140.04 3.66 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.786 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.9 -26.55 0.02 OUTLIER Glycine 0 C--N 1.336 0.553 0 C-N-CA 119.771 -1.204 . . . . 0.0 114.375 -176.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 39.7 t -70.0 -20.76 63.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.302 0.551 . . . . 0.0 111.567 -174.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -59.84 -41.44 91.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.546 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -162.04 142.43 10.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.563 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.52 116.77 3.75 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.02 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.07 142.78 19.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.419 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 68.4 mt -124.77 121.18 60.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.695 0.283 . . . . 0.0 110.453 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.63 130.96 69.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.009 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -130.37 131.06 6.4 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.192 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 94.5 mt -107.52 135.78 48.4 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtm -124.57 121.22 34.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.204 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 28.5 m -124.89 135.32 64.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 176.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.02 165.81 31.81 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.361 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.98 141.29 6.82 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.694 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -120.4 129.99 74.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 59.2 t -121.85 115.52 46.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.94 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.407 ' HB ' ' HB ' ' B' ' 31' ' ' ILE . 53.9 mt -108.8 109.32 27.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.559 -0.734 . . . . 0.0 110.127 179.884 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.8 t70 . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.718 0.294 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.2 -176.88 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.809 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 60.28 62.79 1.51 Allowed 'General case' 0 C--O 1.231 0.118 0 O-C-N 123.718 0.636 . . . . 0.0 110.932 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -69.95 148.8 48.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.105 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -147.98 82.75 1.5 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.52 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.4 m170 69.08 -61.49 0.43 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.584 -175.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 48.14 47.56 19.14 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.74 0.65 . . . . 0.0 111.549 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 p -77.61 83.21 4.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.919 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.83 46.02 3.26 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.858 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.519 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 47.5 p90 -155.96 152.9 28.77 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -133.19 129.22 37.49 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.061 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.8 m -103.73 122.5 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.311 0.577 . . . . 0.0 110.604 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -115.48 135.78 53.75 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.135 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -142.16 136.08 29.62 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.091 176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -140.75 143.35 34.9 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.073 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -140.19 128.4 22.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.076 0.465 . . . . 0.0 110.721 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.8 mt -130.49 127.76 39.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.985 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.6 t -128.01 121.99 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.995 0.426 . . . . 0.0 110.274 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -124.37 139.61 53.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.99 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -127.87 140.04 52.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.932 0.396 . . . . 0.0 111.045 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.16 139.19 53.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.733 176.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -95.59 -19.74 19.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.354 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -136.9 97.63 3.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.389 0.614 . . . . 0.0 110.731 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.441 HG21 ' HB3' ' A' ' 30' ' ' ALA . 21.6 t -101.24 -6.26 9.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.302 174.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.16 90.5 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.214 -177.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.7 m 69.86 54.13 0.37 Allowed 'General case' 0 C--O 1.234 0.262 0 C-N-CA 122.979 0.512 . . . . 0.0 111.207 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 70.24 19.31 6.63 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.9 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -92.08 138.88 31.17 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.42 144.53 17.1 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.493 -173.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.441 ' HB3' HG21 ' A' ' 24' ' ' VAL . . . -139.21 134.84 33.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.828 0.347 . . . . 0.0 110.447 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tt -125.15 130.67 73.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.206 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.4 pt -118.6 132.37 68.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.881 -177.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.61 127.56 6.04 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.399 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.5 mt -126.98 135.54 51.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.8 ttm -139.81 126.59 20.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.14 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.6 t -124.76 133.8 68.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.469 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.83 130.16 6.2 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.6 149.72 20.48 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.131 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.5 t -125.26 120.12 57.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.851 0.358 . . . . 0.0 110.246 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 10' ' ' TYR . 61.4 t -94.6 106.33 18.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.631 176.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.4 mt -106.01 138.84 29.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.545 -177.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.412 ' O ' ' HA2' ' B' ' 29' ' ' GLY . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.267 175.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.22 49.39 2.63 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 123.586 0.554 . . . . 0.0 110.333 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -79.03 58.99 2.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.473 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 45.6 t80 57.55 85.01 0.09 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.275 178.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 69.21 9.05 7.16 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.203 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -92.19 -1.55 57.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.199 0.523 . . . . 0.0 109.691 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -119.13 -66.89 1.03 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.963 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m -93.02 144.62 25.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.437 -175.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.07 132.08 1.65 Allowed Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -88.19 101.46 13.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.965 0.412 . . . . 0.0 111.248 -176.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -83.91 -29.85 26.81 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 174.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 p -81.76 138.41 19.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.899 176.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -166.25 173.58 9.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.651 -177.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -145.29 52.79 1.19 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.673 0.749 . . . . 0.0 110.03 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -97.65 122.6 40.92 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.438 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt 56.91 44.3 23.32 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.716 0.635 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 52.6 tp -69.41 -32.93 72.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.181 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.4 -21.2 28.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.271 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -69.43 -35.94 76.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.17 0.51 . . . . 0.0 110.205 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -87.82 -33.83 18.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.333 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.33 60.17 5.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.004 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -117.57 130.47 56.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.992 177.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -130.43 -10.37 4.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.924 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.6 t -90.65 111.05 22.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.236 0.541 . . . . 0.0 110.872 -175.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.07 9.18 6.31 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 176.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 21.3 p -88.99 3.96 49.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.854 0.359 . . . . 0.0 111.499 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -77.78 112.82 15.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.068 0.461 . . . . 0.0 111.135 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -93.85 42.67 1.1 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.824 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 42' ' ' ALA . . . 150.15 177.54 24.23 Favored Glycine 0 N--CA 1.443 -0.845 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.475 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.97 138.05 8.94 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 61.1 mt -122.6 122.49 66.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.783 0.325 . . . . 0.0 110.472 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pp -117.41 153.08 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.526 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.52 130.09 3.82 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.081 -0.581 . . . . 0.0 111.846 176.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -111.41 125.35 53.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 63.3 mtm -119.22 122.42 41.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.436 -176.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 13.8 p -132.25 141.34 45.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.907 0.384 . . . . 0.0 110.244 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.19 151.54 23.13 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.195 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.07 147.06 19.02 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.855 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 p -139.45 130.18 32.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.941 0.401 . . . . 0.0 110.796 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -127.53 125.04 64.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.156 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 12.9 tt -117.71 124.49 73.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.972 0.415 . . . . 0.0 110.735 178.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.707 179.341 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.723 0.297 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.68 -176.82 3.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.635 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 60.17 62.84 1.53 Allowed 'General case' 0 C--N 1.332 -0.154 0 O-C-N 123.739 0.649 . . . . 0.0 111.006 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -70.01 149.16 48.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -148.4 82.52 1.48 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.607 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 34.4 m170 69.47 -61.16 0.45 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.637 -175.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 47.75 47.71 17.89 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.669 0.606 . . . . 0.0 111.567 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.9 p -77.95 82.63 4.3 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.868 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.24 45.92 3.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.024 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.516 ' HA ' ' O ' ' C' ' 40' ' ' VAL . 47.9 p90 -155.92 152.78 28.67 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -133.19 129.36 37.69 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 28.0 m -103.72 122.11 56.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.465 0.65 . . . . 0.0 110.804 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -114.98 135.77 53.85 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.179 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -142.15 136.62 30.2 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.987 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -141.15 143.5 34.29 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.115 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -140.52 128.09 21.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 88.4 mt -130.25 127.82 40.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.998 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -128.37 121.7 56.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.287 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -124.1 139.62 53.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.982 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -127.78 140.25 52.16 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.216 0.531 . . . . 0.0 111.241 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.21 139.54 53.65 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.631 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -95.94 -20.01 19.08 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.137 -176.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -136.66 97.94 3.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.311 0.577 . . . . 0.0 110.792 177.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.442 HG21 ' HB3' ' C' ' 30' ' ' ALA . 21.6 t -101.38 -6.36 9.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.325 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.35 91.07 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.193 -177.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 47.8 m 69.01 54.57 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 122.989 0.515 . . . . 0.0 111.228 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 69.89 19.77 6.9 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.956 174.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -92.56 138.81 31.19 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.289 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -110.28 144.27 16.99 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.587 -173.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.442 ' HB3' HG21 ' C' ' 24' ' ' VAL . . . -138.83 134.78 33.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.747 0.308 . . . . 0.0 110.369 179.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 8.1 tt -124.91 130.74 73.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.144 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 24.0 pt -118.7 132.35 68.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.828 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.47 127.4 6.02 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.789 -0.719 . . . . 0.0 111.535 177.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -126.72 135.43 51.1 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 49.6 ttm -139.66 126.59 20.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.865 0.364 . . . . 0.0 110.176 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 81.7 t -124.72 133.54 69.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.433 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.34 130.15 6.29 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.43 150.15 20.62 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.151 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -125.6 120.12 56.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.757 0.313 . . . . 0.0 110.252 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' C' ' 10' ' ' TYR . 61.3 t -94.76 106.23 17.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.617 176.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 60.9 mt -105.87 138.76 29.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.627 -177.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . 0.401 ' O ' ' HA2' ' D' ' 29' ' ' GLY . . . . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.497 -0.764 . . . . 0.0 110.158 175.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.22 49.32 2.65 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.645 0.59 . . . . 0.0 110.368 -179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -78.84 58.89 2.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.363 -177.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 46.4 t80 57.72 85.08 0.09 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.215 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 69.06 9.22 7.29 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.202 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -92.07 -2.2 56.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.224 0.535 . . . . 0.0 109.669 178.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -118.61 -67.14 1.01 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.003 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 51.1 m -92.79 144.94 24.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.383 -175.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.63 131.73 1.57 Allowed Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -88.19 101.49 13.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.027 0.441 . . . . 0.0 111.317 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -83.87 -29.68 27.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.299 174.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 14.1 p -81.98 138.38 19.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.985 176.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -166.28 173.79 9.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.582 -177.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -145.34 52.79 1.19 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.555 0.693 . . . . 0.0 110.022 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -97.73 122.08 40.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.489 -176.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 57.66 44.01 21.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.318 0.58 . . . . 0.0 110.77 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 52.4 tp -69.17 -33.01 72.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.201 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 27.6 m -66.34 -21.15 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.239 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -69.57 -35.75 75.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.226 0.536 . . . . 0.0 110.231 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -87.84 -33.95 18.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.377 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.32 60.4 5.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.977 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -117.59 130.78 56.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.997 177.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -130.64 -10.37 3.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.9 -177.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 58.7 t -90.6 111.15 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 121.113 0.482 . . . . 0.0 110.784 -175.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.99 8.86 6.36 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.574 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 18.6 p -89.04 4.01 49.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.857 0.36 . . . . 0.0 111.367 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -77.84 112.4 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.88 0.371 . . . . 0.0 111.109 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -93.6 42.59 1.1 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.759 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' C' ' 42' ' ' ALA . . . 150.51 177.96 24.93 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.515 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -161.35 137.95 8.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.608 0.242 . . . . 0.0 110.45 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 61.5 mt -122.54 122.51 66.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.763 0.316 . . . . 0.0 110.568 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pp -117.41 152.94 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.509 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.28 130.34 3.94 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 121.126 -0.559 . . . . 0.0 111.892 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 92.3 mt -111.67 125.66 54.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 64.1 mtm -119.67 122.27 41.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.475 -176.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 13.9 p -131.97 141.81 44.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.784 0.326 . . . . 0.0 110.261 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.4 152.17 23.69 Favored Glycine 0 N--CA 1.442 -0.964 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.227 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.38 147.02 18.99 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.875 -0.678 . . . . 0.0 111.922 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 p -139.49 130.13 32.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.993 0.425 . . . . 0.0 110.919 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 p -127.45 124.92 64.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.221 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 tt -117.68 124.28 72.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.088 0.471 . . . . 0.0 110.891 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.676 179.478 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.96 34.22 21.53 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.753 0.658 . . . . 0.0 110.942 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -105.4 -24.32 12.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.532 -177.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -68.18 -49.13 62.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.848 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -86.02 71.27 10.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.475 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -88.36 -16.79 32.04 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.571 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -84.54 151.45 24.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.058 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.451 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 50.7 m -148.31 -76.13 0.17 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.939 -175.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.08 56.04 3.59 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.621 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.451 ' CE2' ' HB3' ' A' ' 8' ' ' SER . 37.2 p90 -149.11 157.64 43.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.636 -0.332 . . . . 0.0 110.661 176.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 39' ' ' VAL . 42.6 mt-10 -118.46 136.47 53.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.6 176.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.8 p -118.32 118.43 58.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.416 0.627 . . . . 0.0 110.146 175.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -116.65 151.87 35.41 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.353 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -139.32 146.57 40.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 0.0 111.072 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -138.98 134.26 32.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.56 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -131.74 128.16 38.31 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.823 0.344 . . . . 0.0 111.144 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.1 mt -125.07 130.78 52.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.019 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -136.19 117.54 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.261 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -131.93 137.95 48.16 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -134.7 145.17 48.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.683 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -154.1 133.14 12.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.353 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' HA ' ' HA2' ' A' ' 29' ' ' GLY . 44.5 mt-10 -109.66 23.69 14.08 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.913 0.863 . . . . 0.0 109.286 178.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -98.97 18.93 16.04 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.485 -176.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.4 m -88.71 9.53 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.053 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 173.57 -171.67 44.66 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.6 t -78.79 -30.31 45.46 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.107 0.479 . . . . 0.0 109.766 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -153.65 82.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.971 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -168.49 139.63 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.448 ' HA2' ' HA ' ' A' ' 22' ' ' GLU . . . -121.27 146.22 17.26 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.491 -0.861 . . . . 0.0 112.574 -178.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -141.19 137.62 32.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.829 0.347 . . . . 0.0 110.852 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.7 tt -138.29 140.15 40.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.514 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.438 HG22 HG22 ' B' ' 39' ' ' VAL . 32.3 pt -115.66 144.58 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.399 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.13 131.37 5.8 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.8 tp -133.24 131.99 40.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.703 0.287 . . . . 0.0 110.773 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.8 ttm -131.66 126.33 34.37 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.951 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.413 HG13 ' HG2' ' B' ' 35' ' ' MET . 39.8 t -115.24 138.62 44.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.137 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.26 131.36 5.52 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.83 138.79 9.67 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.653 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 11' ' ' GLU . 68.8 t -126.01 124.14 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.83 112.47 40.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.25 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.5 mt -109.69 125.45 66.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.555 -178.935 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.718 0.294 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.73 42.86 0.72 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -82.97 82.56 8.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.912 -171.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 66.22 87.67 0.12 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.18 177.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -64.99 132.83 50.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.218 -178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -123.92 61.14 1.1 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.52 84.09 0.84 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.24 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 28.8 p -107.33 -26.03 11.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.161 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.82 47.94 0.58 Allowed Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.301 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -95.69 -48.82 5.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.865 0.364 . . . . 0.0 110.437 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -88.58 69.53 8.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.342 0.592 . . . . 0.0 110.662 -176.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 27.5 m -78.48 -23.06 13.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.763 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -90.5 83.13 5.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -74.85 -47.37 30.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.054 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 51.27 54.21 11.54 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.311 0.577 . . . . 0.0 111.123 177.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -110.7 6.7 21.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.917 -177.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.0 tp -67.36 -39.3 85.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.02 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 17.1 m -65.36 -29.26 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.135 177.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -73.15 -28.22 62.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.14 0.495 . . . . 0.0 110.185 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -81.37 -12.61 58.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.089 178.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.14 14.9 22.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.34 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -134.15 94.8 3.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.151 0.5 . . . . 0.0 110.523 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -76.82 82.24 3.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.648 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 35.7 m -78.37 -23.79 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.004 0.43 . . . . 0.0 110.384 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.13 -161.2 13.51 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.978 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.7 m -75.8 118.2 18.35 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.817 0.342 . . . . 0.0 110.718 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -77.9 60.17 2.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.178 0.513 . . . . 0.0 110.778 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -131.2 131.28 43.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.59 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 171.09 150.37 7.0 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.189 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.61 127.12 55.65 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 69.2 mt -120.83 117.22 52.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.787 0.327 . . . . 0.0 110.5 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.53 126.05 74.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.65 130.53 5.4 Favored Glycine 0 N--CA 1.443 -0.85 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.409 HD12 ' O ' ' B' ' 34' ' ' LEU . 4.0 pp -126.04 145.74 50.19 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.114 0.483 . . . . 0.0 111.034 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.413 ' HG2' HG13 ' A' ' 36' ' ' VAL . 65.5 mtm -126.54 121.37 32.1 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.357 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.82 126.14 73.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.0 143.75 14.49 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.341 -0.933 . . . . 0.0 112.217 -177.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.82 140.38 10.69 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.958 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.438 HG22 HG22 ' A' ' 32' ' ' ILE . 52.7 t -127.42 130.47 70.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 p -125.38 125.88 69.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.195 0.521 . . . . 0.0 110.548 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mt -112.3 109.6 29.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.945 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.838 -177.339 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.46 34.35 22.58 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.593 0.558 . . . . 0.0 110.973 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -105.04 -24.93 12.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.618 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -67.51 -49.53 62.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.867 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -85.84 71.61 10.63 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -88.61 -16.66 31.9 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.575 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -84.35 151.63 24.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.175 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.45 ' HB3' ' CE2' ' C' ' 10' ' ' TYR . 49.0 m -148.41 -76.01 0.17 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.996 -176.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.04 56.16 3.56 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.568 178.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.45 ' CE2' ' HB3' ' C' ' 8' ' ' SER . 37.2 p90 -149.32 157.74 43.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.852 0.358 . . . . 0.0 110.776 176.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' C' ' 39' ' ' VAL . 42.6 mt-10 -118.32 136.3 53.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.563 176.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 p -118.0 118.53 58.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.354 0.597 . . . . 0.0 110.066 175.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -116.68 151.73 35.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.444 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -138.81 146.97 41.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.364 . . . . 0.0 111.076 -178.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -139.27 134.14 32.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.54 177.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -131.61 128.12 38.48 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.893 0.378 . . . . 0.0 111.173 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 95.1 mt -125.05 131.08 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.972 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -136.55 117.52 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.171 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -132.0 138.11 48.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.07 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -134.87 144.82 47.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.98 0.419 . . . . 0.0 110.848 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.6 133.06 12.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.363 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . 0.451 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . 44.3 mt-10 -109.5 23.64 14.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.864 0.84 . . . . 0.0 109.415 177.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -99.23 19.42 15.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.347 -176.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 35.6 m -89.17 9.7 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.041 -177.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 173.56 -171.64 44.64 Favored Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 18.1 t -78.88 -30.81 45.19 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.192 0.52 . . . . 0.0 109.601 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -152.8 83.19 1.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.058 177.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -168.76 139.38 2.44 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' C' ' 22' ' ' GLU . . . -121.1 146.01 17.3 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.678 -178.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.99 137.61 33.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.604 -0.35 . . . . 0.0 110.732 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 8.8 tt -138.34 140.19 40.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.42 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.446 HG22 HG22 ' D' ' 39' ' ' VAL . 32.3 pt -115.67 144.69 22.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.427 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.04 131.65 5.93 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.61 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 57.5 tp -133.33 131.98 40.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.809 0.338 . . . . 0.0 110.756 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 47.2 ttm -131.79 126.27 33.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.085 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.426 HG13 ' HG2' ' D' ' 35' ' ' MET . 39.9 t -115.16 138.55 45.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.216 179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.06 131.37 5.55 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 177.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.07 138.58 9.47 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.625 -178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' C' ' 11' ' ' GLU . 67.3 t -125.79 124.41 66.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.908 0.385 . . . . 0.0 110.136 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 79.7 t -111.1 112.48 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.222 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 25.7 mt -109.64 125.82 66.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.667 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.898 -178.793 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.708 0.289 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.36 43.12 0.76 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -82.97 82.49 8.2 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.961 -171.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 66.2 87.87 0.11 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.858 0.724 . . . . 0.0 111.09 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -65.3 132.57 49.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.184 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -123.65 61.38 1.07 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.264 0.554 . . . . 0.0 109.598 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.39 84.07 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.232 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 31.4 p -107.37 -26.03 11.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.239 -177.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.98 48.15 0.57 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.212 -177.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -95.9 -48.82 5.57 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.876 0.369 . . . . 0.0 110.503 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -88.58 69.45 8.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.382 0.61 . . . . 0.0 110.583 -177.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 27.6 m -78.05 -24.01 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -89.81 83.42 6.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -74.95 -47.68 28.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.115 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 51.87 53.82 11.95 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.609 0.568 . . . . 0.0 111.153 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -110.71 6.77 21.85 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.886 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 50.2 tp -67.26 -39.5 86.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.045 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 m -65.67 -28.83 45.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.093 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -73.38 -28.21 61.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.175 0.512 . . . . 0.0 110.178 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -81.52 -12.56 58.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.107 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.16 14.9 22.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.278 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -134.12 94.75 3.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.164 0.507 . . . . 0.0 110.505 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -77.01 82.73 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.614 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 35.9 m -78.59 -23.91 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.922 0.391 . . . . 0.0 110.511 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.07 -161.64 13.38 Favored Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.941 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 20.1 m -75.87 118.56 18.79 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.859 0.362 . . . . 0.0 110.548 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -78.14 60.41 2.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.21 0.529 . . . . 0.0 110.641 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -131.29 131.47 43.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.519 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.96 150.15 6.86 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.258 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.72 127.11 55.68 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -120.74 117.28 52.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.447 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.54 125.96 74.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 176.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.56 130.39 5.37 Favored Glycine 0 N--CA 1.444 -0.829 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.41 ' O ' HD12 ' D' ' 34' ' ' LEU . 4.0 pp -126.13 145.67 50.26 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.138 0.494 . . . . 0.0 110.915 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.426 ' HG2' HG13 ' C' ' 36' ' ' VAL . 67.4 mtm -126.48 121.37 32.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.332 177.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 m -115.81 126.31 73.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.16 143.88 14.6 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.289 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.07 140.33 10.58 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.9 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.446 HG22 HG22 ' C' ' 32' ' ' ILE . 56.6 t -127.56 130.55 70.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 178.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 p -125.4 125.77 69.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.317 0.579 . . . . 0.0 110.589 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 49.6 mt -111.84 109.87 30.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.024 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.342 -0.837 . . . . 0.0 109.962 -177.501 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.798 0.333 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.82 -57.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.444 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 58.9 57.93 3.41 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.583 0.552 . . . . 0.0 110.7 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.435 ' CE2' ' HB2' ' A' ' 7' ' ' ASP . 43.2 t80 -72.55 126.86 30.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -128.72 -76.32 0.56 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.203 178.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -131.47 37.55 3.68 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.435 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 3.9 m-20 -62.2 125.24 23.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.598 -1.183 . . . . 0.0 111.055 -177.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 12.8 m -105.25 168.69 8.91 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.147 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.56 -102.2 0.18 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.342 -0.932 . . . . 0.0 113.082 -178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -159.82 150.32 18.92 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -174.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.442 ' HB2' ' HB ' ' A' ' 40' ' ' VAL . 34.7 mt-10 -142.71 150.12 39.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.957 0.408 . . . . 0.0 110.806 177.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -112.0 113.95 45.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.336 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -116.18 135.02 54.29 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -161.15 136.17 7.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.079 0.466 . . . . 0.0 110.632 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -125.83 145.01 50.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.836 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -146.79 132.8 19.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.974 0.416 . . . . 0.0 110.85 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 60.8 tp -143.74 120.77 11.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.317 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -117.32 127.84 74.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -136.4 139.54 42.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.077 0.465 . . . . 0.0 110.677 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -110.85 131.05 55.38 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.533 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.59 129.16 52.67 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.043 0.449 . . . . 0.0 110.704 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -97.1 -13.78 21.97 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.225 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -118.62 123.53 45.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.493 -177.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 p -163.21 -29.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.659 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -139.91 -144.95 4.6 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.959 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.3 m -82.67 -47.91 11.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.192 0.52 . . . . 0.0 109.662 175.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -146.76 69.05 1.17 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 175.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -135.95 140.58 44.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.846 -176.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.64 136.96 13.93 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 173.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' B' ' 40' ' ' VAL . . . -117.31 129.42 55.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.345 0.593 . . . . 0.0 111.773 -175.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 mm -113.61 122.61 68.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.344 -0.844 . . . . 0.0 108.935 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.1 tt -129.45 130.54 67.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.414 0.626 . . . . 0.0 111.514 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.45 129.27 5.63 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.392 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 74.6 mt -120.72 127.17 51.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.787 0.327 . . . . 0.0 110.222 -178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.0 mtm -135.53 133.5 38.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.747 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.04 131.72 67.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.975 177.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.39 135.58 8.66 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.509 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.13 137.94 8.74 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.018 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.9 t -105.65 117.53 51.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 11' ' ' GLU . 50.4 t -107.5 105.6 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.985 -176.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 66.4 mt -106.43 104.36 16.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.232 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 8' ' ' SER . . . . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.433 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.19 20.05 11.11 Favored 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.785 0.678 . . . . 0.0 111.668 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -89.39 2.59 54.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.107 0.48 . . . . 0.0 110.45 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -121.55 120.63 35.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.952 175.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -103.16 133.49 48.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.202 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -116.59 89.48 3.12 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -75.61 81.02 2.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.176 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.2 m -59.17 108.91 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.854 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.98 -156.48 6.79 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 121.092 -0.575 . . . . 0.0 111.729 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 59.88 38.7 21.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.229 0.537 . . . . 0.0 110.657 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -78.14 79.89 4.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.7 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.9 m -67.54 105.36 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.656 176.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -82.68 58.56 4.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.542 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -125.83 107.36 10.43 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.071 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -74.92 -21.17 59.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.549 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -66.21 -20.78 66.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.711 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.43 -33.41 75.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.626 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 45.1 t -66.5 -34.82 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.253 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -84.41 -14.1 50.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.297 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -80.15 -55.62 4.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.966 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 52.73 80.44 0.1 Allowed 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.778 0.674 . . . . 0.0 111.524 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.71 114.05 6.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.458 0.646 . . . . 0.0 111.618 -175.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -90.23 131.24 36.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.724 175.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 22.9 t -121.51 -33.61 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.134 0.492 . . . . 0.0 110.256 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.75 -62.82 0.48 Allowed Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.508 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 19.2 m -104.49 61.88 0.72 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.214 0.531 . . . . 0.0 109.735 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -77.2 -51.44 10.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.563 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -151.38 21.67 0.73 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.499 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.29 155.82 11.95 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.487 -0.863 . . . . 0.0 113.498 174.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -161.89 127.26 3.5 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 122.797 0.439 . . . . 0.0 110.012 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 62.9 mt -125.44 113.37 34.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.711 0.291 . . . . 0.0 110.407 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 pp -116.26 154.26 17.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.616 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.87 130.85 3.75 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.96 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 48.5 tp -118.54 125.17 49.27 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.915 0.388 . . . . 0.0 110.1 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 60.2 mtm -112.09 121.32 44.64 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.948 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.2 t -127.04 126.61 68.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.812 0.339 . . . . 0.0 110.227 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.56 135.51 7.64 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.764 -0.732 . . . . 0.0 111.51 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.63 139.42 11.12 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.428 -0.892 . . . . 0.0 112.181 -178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 40.0 t -128.0 130.44 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.935 0.398 . . . . 0.0 110.228 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 98.7 t -119.93 115.95 48.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.716 176.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 63.4 mt -112.34 109.18 27.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.929 0.395 . . . . 0.0 110.458 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.687 178.656 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 120.759 0.314 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.76 -58.02 0.19 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.543 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 59.03 58.0 3.32 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.641 0.588 . . . . 0.0 110.641 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.433 ' CE2' ' HB2' ' C' ' 7' ' ' ASP . 43.4 t80 -72.67 127.12 31.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.352 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -128.92 -75.87 0.56 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.371 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -131.68 36.71 3.71 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . 0.433 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . 3.8 m-20 -61.46 125.79 25.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.034 -177.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' C' ' 42' ' ' ALA . 13.0 m -105.76 169.14 8.65 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.953 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.14 -102.37 0.18 Allowed Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.358 -0.925 . . . . 0.0 113.017 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -159.62 150.49 19.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -174.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.435 ' HB2' ' HB ' ' C' ' 40' ' ' VAL . 35.2 mt-10 -142.47 149.86 39.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.903 0.383 . . . . 0.0 111.029 177.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -111.58 114.19 46.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.321 175.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -116.44 134.63 54.64 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -160.75 136.36 8.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.126 0.489 . . . . 0.0 110.74 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -125.77 145.39 50.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.811 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -147.32 132.42 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.975 0.417 . . . . 0.0 110.85 -177.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 60.7 tp -143.72 120.7 11.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.387 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.9 t -117.01 127.84 74.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -136.41 139.64 42.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.033 0.444 . . . . 0.0 110.73 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -110.88 130.99 55.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.526 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.61 128.88 52.41 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.095 0.474 . . . . 0.0 110.668 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -96.72 -14.42 22.03 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.178 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -117.99 123.61 46.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.579 -177.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 p -163.44 -30.07 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.576 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -139.36 -144.51 4.57 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.947 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 21.5 m -82.82 -48.47 10.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.15 0.5 . . . . 0.0 109.699 175.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -146.25 68.75 1.19 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.212 175.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -135.86 140.65 44.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.992 -176.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.44 137.18 14.06 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 173.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' D' ' 40' ' ' VAL . . . -117.47 129.3 55.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.414 0.626 . . . . 0.0 111.643 -175.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 14.9 mm -113.66 122.76 68.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.372 -0.831 . . . . 0.0 108.786 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 tt -129.82 130.61 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.465 0.65 . . . . 0.0 111.528 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.8 128.93 5.47 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.395 178.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 75.7 mt -120.44 127.22 52.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.765 0.317 . . . . 0.0 110.237 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 71.4 mtm -135.47 133.55 38.64 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.594 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 59.6 t -129.14 131.74 67.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.938 177.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.41 135.71 8.72 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.657 -0.783 . . . . 0.0 111.272 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.42 138.0 8.71 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.193 -1.003 . . . . 0.0 113.008 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 83.3 t -105.75 117.79 52.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.435 ' HB ' ' HB2' ' C' ' 11' ' ' GLU . 50.6 t -107.57 105.66 19.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -176.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 65.9 mt -106.5 104.31 16.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 174.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' C' ' 8' ' ' SER . . . . . . . . 0 C--O 1.244 0.803 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.406 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 34.9 t70 . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.64 19.2 10.81 Favored 'General case' 0 N--CA 1.462 0.155 0 O-C-N 123.703 0.627 . . . . 0.0 111.677 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -88.77 2.99 52.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.103 0.477 . . . . 0.0 110.596 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -122.0 120.59 34.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.812 175.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -103.23 133.5 48.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.962 0.411 . . . . 0.0 110.298 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -116.82 89.24 3.07 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -75.21 81.43 2.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.221 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m -59.7 108.69 0.77 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.883 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.13 -156.86 6.93 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.879 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 60.32 38.12 19.87 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.224 0.535 . . . . 0.0 110.613 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -77.29 80.57 3.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.602 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 6.7 m -68.02 105.57 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.585 176.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -82.76 59.15 4.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.54 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -126.54 107.15 9.97 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.069 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -74.86 -20.98 59.52 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.637 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -66.02 -21.2 66.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.756 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 96.6 mt -67.15 -33.45 75.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.684 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 44.6 t -66.4 -35.07 74.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.298 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -84.21 -14.06 51.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.444 179.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -80.05 -55.77 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.915 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . 53.09 81.11 0.09 Allowed 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.926 0.766 . . . . 0.0 111.414 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -69.38 113.75 6.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.48 0.657 . . . . 0.0 111.598 -175.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -89.7 131.36 35.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.719 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 t -121.72 -33.62 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.388 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 144.59 -63.48 0.47 Allowed Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.453 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 19.8 m -103.78 61.59 0.75 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.132 0.491 . . . . 0.0 109.932 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -76.98 -51.21 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.591 -177.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -151.26 20.94 0.75 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.511 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.36 156.88 11.74 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.398 -0.906 . . . . 0.0 113.376 174.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.74 127.22 3.09 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 122.6 0.36 . . . . 0.0 110.085 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 63.2 mt -125.45 113.61 35.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.805 0.336 . . . . 0.0 110.329 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 pp -116.4 154.56 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.638 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.11 131.55 3.99 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.871 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 48.7 tp -119.32 125.15 48.37 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.924 0.392 . . . . 0.0 110.057 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 60.1 mtm -112.06 121.35 44.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.023 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 46.1 t -126.87 126.66 68.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.227 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.62 135.67 7.73 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.474 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.55 139.53 11.21 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.16 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 40.5 t -128.36 130.47 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' C' ' 30' ' ' ALA . 99.1 t -120.0 115.93 48.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.724 176.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 63.2 mt -112.11 109.18 27.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.962 0.411 . . . . 0.0 110.475 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.93 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.766 178.572 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 120.889 0.376 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.6 94.26 9.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.028 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -101.78 -26.31 13.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.305 0.574 . . . . 0.0 109.914 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -119.77 135.25 54.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.983 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -109.04 131.2 55.29 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -106.54 75.68 1.08 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.119 0.485 . . . . 0.0 110.608 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -123.09 176.4 6.08 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.336 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.9 m 58.9 39.28 23.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.142 0.496 . . . . 0.0 111.065 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.15 -176.88 50.78 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.264 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -139.22 152.35 47.27 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.807 0.337 . . . . 0.0 110.775 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -117.68 129.86 55.99 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.54 123.98 64.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.587 0.708 . . . . 0.0 111.567 -176.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -113.34 135.34 53.96 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.051 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -149.22 138.48 21.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.04 0.448 . . . . 0.0 111.279 -177.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -137.82 145.4 42.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.6 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -121.24 153.29 37.82 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 175.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 51.2 tp -147.67 128.02 13.95 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 m -134.78 134.52 53.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.315 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.444 ' HB3' ' HB ' ' A' ' 32' ' ' ILE . 55.6 t80 -136.73 131.33 33.33 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.904 0.383 . . . . 0.0 110.021 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -126.13 126.56 44.36 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.801 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.57 129.89 11.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.881 0.372 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.515 ' HA ' ' HA2' ' A' ' 29' ' ' GLY . 4.5 mp0 -94.27 -1.4 54.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.352 178.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -99.71 15.15 27.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.225 -177.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 88.6 t -82.91 -51.05 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.16 159.79 13.87 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.499 -0.857 . . . . 0.0 111.763 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 p -63.3 100.02 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.813 0.339 . . . . 0.0 110.478 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 59.81 33.96 21.78 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.768 -175.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -138.15 142.42 40.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.519 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' A' ' 22' ' ' GLU . . . -107.42 144.46 15.99 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.336 -178.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.71 130.74 56.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.019 0.438 . . . . 0.0 111.06 -178.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' B' ' 39' ' ' VAL . 4.0 mp -107.79 113.92 45.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.524 176.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.444 ' HB ' ' HB3' ' A' ' 19' ' ' PHE . 3.6 mp -106.37 124.26 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.29 -179.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.46 128.08 5.08 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.631 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 17' ' ' LEU . 47.8 tp -135.48 146.02 47.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.765 0.317 . . . . 0.0 110.615 -178.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.0 ttm -142.36 132.2 24.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.081 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 66.7 t -126.45 136.04 61.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.414 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.6 133.94 6.38 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.877 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.88 139.94 10.81 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.819 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.6 t -129.14 126.64 64.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.683 0.278 . . . . 0.0 110.516 -177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.448 HG23 HG12 ' B' ' 31' ' ' ILE . 2.6 p -108.41 113.09 43.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.278 0.561 . . . . 0.0 110.073 176.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.6 mt -98.88 125.23 52.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.089 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.112 -0.947 . . . . 0.0 111.407 179.577 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.7 25.53 4.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.664 0.269 . . . . 0.0 111.523 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -127.5 -38.02 1.96 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.49 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -83.47 104.36 13.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.894 0.378 . . . . 0.0 110.774 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -133.88 -20.0 2.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.975 0.416 . . . . 0.0 111.048 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -88.28 0.41 56.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.859 0.362 . . . . 0.0 110.465 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -88.12 7.16 32.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.264 0.554 . . . . 0.0 110.145 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.9 p -73.88 -19.49 60.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.28 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.46 -131.08 4.85 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.163 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 61.55 36.04 17.11 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.453 0.644 . . . . 0.0 110.759 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.404 ' HB3' ' NE2' ' B' ' 13' ' ' HIS . 46.8 mt-10 -85.75 81.88 8.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.161 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -74.09 86.86 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.827 0.822 . . . . 0.0 109.853 175.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.404 ' NE2' ' HB3' ' B' ' 11' ' ' GLU . 33.7 m80 -72.07 100.08 2.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.452 -176.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -71.71 140.32 49.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.228 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -114.19 169.65 8.87 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.349 0.595 . . . . 0.0 111.703 -172.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -126.63 -178.07 4.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.66 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 95.4 mt -57.16 -43.84 82.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.697 0.284 . . . . 0.0 111.604 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 36.0 t -66.93 -31.98 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.953 0.406 . . . . 0.0 110.841 -178.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -79.72 -19.88 47.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.71 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -84.27 -24.0 30.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.277 179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.42 104.34 3.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.086 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -91.52 83.85 5.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.509 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.62 94.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.231 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 13.5 p -98.31 -19.74 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.123 178.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.71 -179.04 33.73 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.683 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 21.1 t -140.18 147.57 40.31 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -123.71 142.07 51.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.373 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm 63.65 32.02 14.13 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.883 0.739 . . . . 0.0 110.892 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.3 157.65 27.06 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.175 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.94 129.08 8.1 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.697 0.284 . . . . 0.0 110.864 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.448 HG12 HG23 ' A' ' 40' ' ' VAL . 66.0 mt -113.11 116.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.429 HG22 HG12 ' D' ' 40' ' ' VAL . 2.1 pp -115.04 148.83 17.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.775 0.321 . . . . 0.0 110.919 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.64 129.8 4.65 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 81.2 mt -124.24 134.49 53.24 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.685 0.279 . . . . 0.0 110.449 -177.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 25.5 ttt -133.11 121.53 22.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.374 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -138.71 132.34 40.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.954 0.407 . . . . 0.0 110.502 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.86 166.79 34.6 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.279 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.69 160.32 30.2 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.887 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 6.6 p -142.48 133.97 25.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.894 0.378 . . . . 0.0 110.326 178.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.428 HG12 HG22 ' D' ' 32' ' ' ILE . 19.6 m -121.34 127.6 75.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.352 176.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 55.4 mt -114.71 110.04 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.562 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.681 178.218 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.721 0.296 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.98 93.58 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.977 0.418 . . . . 0.0 111.212 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -101.32 -26.38 13.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.261 0.553 . . . . 0.0 109.846 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -119.76 135.46 54.84 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.033 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -109.34 130.63 55.49 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 176.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -105.92 75.86 1.14 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.09 0.472 . . . . 0.0 110.696 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -123.23 176.58 6.02 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.421 176.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 31.9 m 58.79 39.31 24.28 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.088 0.471 . . . . 0.0 111.009 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.34 -177.55 50.65 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.267 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -138.71 152.49 48.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.799 0.333 . . . . 0.0 110.715 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -117.68 129.84 55.98 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 178.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -108.45 123.99 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.604 0.716 . . . . 0.0 111.732 -177.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -113.33 135.3 54.0 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.097 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -149.03 138.76 21.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.03 0.443 . . . . 0.0 111.215 -177.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -137.86 145.41 42.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.51 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -121.01 153.3 37.53 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 175.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 51.0 tp -147.71 128.17 14.04 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 m -134.98 134.13 53.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.424 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.443 ' HB3' ' HB ' ' C' ' 32' ' ' ILE . 54.9 t80 -136.5 130.85 33.13 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.804 0.335 . . . . 0.0 110.132 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -125.47 126.71 45.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.82 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.64 129.72 11.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.895 0.379 . . . . 0.0 111.242 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . 0.52 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . 4.5 mp0 -93.83 -1.68 54.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.368 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -99.55 15.09 27.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.218 -177.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 89.3 t -82.98 -50.97 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.34 159.65 13.92 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.682 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p -63.07 100.12 0.2 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.778 0.323 . . . . 0.0 110.605 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 59.38 34.74 22.89 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.642 0.734 . . . . 0.0 109.671 -175.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -138.83 142.42 38.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.591 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' C' ' 22' ' ' GLU . . . -107.46 144.58 16.01 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.184 -177.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.73 130.92 57.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.951 0.405 . . . . 0.0 111.221 -178.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' D' ' 39' ' ' VAL . 4.0 mp -107.74 114.13 45.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.477 176.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.443 ' HB ' ' HB3' ' C' ' 19' ' ' PHE . 3.6 mp -106.67 124.28 62.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.253 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.74 127.94 4.98 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.563 176.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 48.9 tp -135.43 145.87 47.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.676 0.274 . . . . 0.0 110.526 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 51.1 ttm -142.16 132.19 24.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.979 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 65.0 t -126.38 136.26 61.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.372 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.96 134.02 6.35 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.797 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.8 140.49 11.29 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.849 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 60.8 t -129.37 126.54 63.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.732 0.301 . . . . 0.0 110.469 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.46 HG23 HG12 ' D' ' 31' ' ' ILE . 2.6 p -108.24 113.25 43.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.222 0.534 . . . . 0.0 110.113 176.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 57.4 mt -99.09 125.55 52.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.097 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 117.984 -1.007 . . . . 0.0 111.188 179.621 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 13.8 t70 . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.92 25.94 4.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -127.85 -37.98 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.37 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -83.51 104.35 13.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.8 0.333 . . . . 0.0 110.66 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -133.64 -20.21 2.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.975 0.416 . . . . 0.0 111.075 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -88.3 0.13 56.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.971 0.415 . . . . 0.0 110.367 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -87.63 7.02 31.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.237 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 3.9 p -73.8 -19.55 60.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.266 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.64 -131.01 4.79 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.098 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 61.49 35.91 17.33 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.427 0.632 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.411 ' HB3' ' NE2' ' D' ' 13' ' ' HIS . 47.1 mt-10 -86.0 82.15 8.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.996 -178.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 p -74.39 87.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.827 0.822 . . . . 0.0 109.819 174.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . 0.411 ' NE2' ' HB3' ' D' ' 11' ' ' GLU . 33.9 m80 -72.32 99.93 2.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.524 -176.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -71.43 140.58 50.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.206 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -114.48 169.46 9.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.226 0.536 . . . . 0.0 111.585 -172.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -126.29 -177.86 4.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.582 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.22 -44.46 83.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.716 0.293 . . . . 0.0 111.458 -178.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 33.3 t -66.53 -31.67 54.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.38 . . . . 0.0 110.973 -178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -79.96 -19.64 47.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.782 0.325 . . . . 0.0 110.725 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -84.29 -24.17 30.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.19 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.39 104.36 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.065 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -91.5 84.34 5.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.418 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -64.2 94.23 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.15 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 p -97.44 -19.58 5.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.21 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.73 -179.24 33.6 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.642 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 21.6 t -140.29 146.86 39.1 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -122.99 142.51 50.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.503 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 63.57 31.66 14.55 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.67 0.606 . . . . 0.0 111.066 178.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.37 158.1 27.37 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.203 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.21 129.1 7.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.671 0.272 . . . . 0.0 110.849 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.46 HG12 HG23 ' C' ' 40' ' ' VAL . 66.2 mt -113.12 116.68 53.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.428 HG22 HG12 ' B' ' 40' ' ' VAL . 2.1 pp -114.92 149.15 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 -178.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.06 129.84 4.6 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 174.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 80.7 mt -124.23 134.62 53.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.612 0.244 . . . . 0.0 110.539 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 25.7 ttt -133.13 121.6 22.84 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.43 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -139.01 132.22 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.05 0.452 . . . . 0.0 110.427 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.81 166.86 34.59 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.263 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.94 160.42 30.36 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 121.047 -0.596 . . . . 0.0 111.808 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' C' ' 31' ' ' ILE . 6.7 p -142.63 133.74 24.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 120.945 0.402 . . . . 0.0 110.335 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.429 HG12 HG22 ' B' ' 32' ' ' ILE . 20.4 m -120.97 127.63 75.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.305 176.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 55.1 mt -114.69 110.07 30.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.61 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.889 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.512 178.362 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 120.923 0.392 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.48 141.65 25.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.249 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -154.71 154.14 32.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.85 0.357 . . . . 0.0 110.467 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -147.86 140.61 24.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.099 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -134.21 -4.99 2.68 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.515 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -88.73 53.18 2.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.134 0.493 . . . . 0.0 110.981 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -98.77 -54.12 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.835 176.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.6 t -154.27 149.07 26.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.524 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.89 -79.15 0.11 Allowed Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 111.545 -0.622 . . . . 0.0 111.545 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -158.7 152.05 22.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 176.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -123.09 133.46 54.3 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.339 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m -106.2 143.83 16.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.686 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -144.91 135.95 24.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.269 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -159.54 138.51 10.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.045 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -142.31 154.17 44.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.124 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -141.55 149.39 40.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.916 0.389 . . . . 0.0 110.689 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.2 mt -134.07 130.55 37.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.727 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.47 117.25 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.841 0.353 . . . . 0.0 110.24 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.03 121.01 36.01 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -135.22 137.45 42.63 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.181 0.515 . . . . 0.0 111.526 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.52 153.58 41.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.86 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -115.08 -19.57 10.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.104 0.478 . . . . 0.0 110.995 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -97.85 44.79 1.03 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.866 -177.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 t -86.21 75.78 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.429 0.633 . . . . 0.0 110.618 -177.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.37 -135.23 12.47 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.207 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.3 t -77.42 -51.33 10.96 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.78 0.324 . . . . 0.0 110.43 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -166.77 87.67 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.532 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -172.38 140.69 1.13 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.963 172.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.89 162.21 21.13 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.551 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.67 138.46 25.91 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.754 0.312 . . . . 0.0 110.507 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.0 tt -130.07 124.16 57.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 121.339 0.59 . . . . 0.0 110.516 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 32' ' ' ILE . 4.1 mp -112.01 121.44 64.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.684 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.11 129.1 7.47 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.853 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.1 tp -134.75 129.99 35.5 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.9 ttm -142.26 136.22 29.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.689 0.28 . . . . 0.0 110.492 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.14 140.1 43.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.467 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.15 140.85 8.65 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.79 161.49 30.29 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.721 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.7 t -129.72 130.35 66.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.791 0.329 . . . . 0.0 110.401 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -106.28 112.81 41.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.665 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.5 mt -103.91 112.7 38.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.765 -176.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.441 ' HB3' ' H ' ' B' ' 29' ' ' GLY . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.444 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.447 ' H2 ' ' CD ' ' B' ' 3' ' ' GLU . 1.2 m-20 . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.959 0.409 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.52 36.05 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 177.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.447 ' CD ' ' H2 ' ' B' ' 1' ' ' ASP . 4.3 mp0 -90.59 16.31 9.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.376 -175.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -70.48 -19.04 62.98 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.685 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -73.02 74.86 1.2 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.409 0.623 . . . . 0.0 111.745 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -148.63 30.16 0.83 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.004 0.43 . . . . 0.0 110.771 178.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -122.78 168.04 12.73 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.278 -178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 36.5 m -147.4 149.62 33.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.791 0.329 . . . . 0.0 110.23 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.79 -40.74 2.37 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.818 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -82.37 61.85 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.249 0.547 . . . . 0.0 109.941 176.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -145.48 145.92 31.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.37 -175.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 t -123.98 90.99 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.033 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -108.54 -58.69 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.024 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -122.14 -27.05 4.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.239 177.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -92.11 124.97 36.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.304 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -151.08 -24.92 0.21 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.045 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 90.2 mt -74.75 -23.05 58.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.465 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.92 -40.02 87.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.289 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -69.56 -29.83 67.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.222 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -80.65 -29.65 36.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.764 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.99 66.48 7.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.323 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -79.07 124.72 28.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.832 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 35.1 t70 57.68 73.62 0.46 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.421 179.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 28.2 m -118.63 157.83 20.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.559 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -143.5 168.73 26.17 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.055 -177.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t -102.41 -17.5 15.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.958 0.409 . . . . 0.0 110.629 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -86.6 67.12 9.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.209 0.528 . . . . 0.0 110.673 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -133.35 89.26 2.58 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.569 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.441 ' H ' ' HB3' ' A' ' 42' ' ' ALA . . . 100.8 50.9 1.22 Allowed Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.463 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.414 ' HA ' ' HB3' ' D' ' 42' ' ' ALA . . . -118.98 134.26 55.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.683 0.278 . . . . 0.0 110.713 -178.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 70.2 mt -133.28 125.49 51.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.004 0.431 . . . . 0.0 110.998 -176.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.07 136.69 60.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.771 175.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.5 130.29 3.89 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.062 177.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 60.9 tp -123.4 127.22 48.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.756 0.312 . . . . 0.0 110.485 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 27.9 ttt -125.53 121.79 34.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.244 -178.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.43 133.26 69.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.933 0.397 . . . . 0.0 110.852 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.68 142.07 11.97 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.98 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.28 143.91 12.73 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.137 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 34.4 m -124.19 131.37 72.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.977 0.418 . . . . 0.0 110.344 178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.94 117.83 51.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.933 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.416 ' HB ' ' HB ' ' D' ' 31' ' ' ILE . 55.7 mt -116.77 125.02 73.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.964 -179.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' D' ' 30' ' ' ALA . . . . . . . . 0 C--O 1.248 1.001 0 O-C-N 124.209 0.943 . . . . 0.0 111.111 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.99 0.424 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.46 141.63 25.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.263 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -154.82 153.82 31.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.813 0.34 . . . . 0.0 110.418 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -147.67 140.36 24.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.179 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -133.75 -5.02 2.84 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.636 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -88.78 53.05 2.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.117 0.485 . . . . 0.0 111.0 -177.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -98.52 -54.14 3.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.887 176.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 14.8 t -154.41 149.65 27.04 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.538 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.44 -79.43 0.11 Allowed Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -158.43 151.91 23.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.78 0.324 . . . . 0.0 110.146 177.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -122.87 133.47 54.42 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.303 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 m -106.36 143.62 16.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -144.96 135.27 24.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.297 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -158.32 140.03 13.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.738 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -143.23 154.44 43.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.102 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -141.43 149.33 40.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.878 0.371 . . . . 0.0 110.783 177.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 85.2 mt -133.85 130.96 38.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.759 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -128.93 117.11 43.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -122.02 120.66 35.02 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -134.84 137.7 43.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.189 0.519 . . . . 0.0 111.471 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.73 153.61 41.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.756 178.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -115.37 -19.33 10.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.093 0.473 . . . . 0.0 110.99 -176.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -98.08 45.17 1.02 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.718 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 19.9 t -86.37 74.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.363 0.601 . . . . 0.0 110.681 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.89 -135.62 12.75 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.962 177.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -77.0 -51.68 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.789 0.328 . . . . 0.0 110.3 -178.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -166.34 87.46 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.698 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -172.44 140.65 1.1 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.867 173.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.08 162.26 20.97 Favored Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.631 177.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.69 138.12 25.66 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.778 0.323 . . . . 0.0 110.669 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 11.9 tt -129.69 124.17 58.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.323 0.582 . . . . 0.0 110.447 177.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.409 ' N ' HD12 ' C' ' 32' ' ' ILE . 4.1 mp -111.99 121.5 64.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.734 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.0 129.48 7.64 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.686 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 57.1 tp -135.05 129.9 34.78 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 51.2 ttm -142.33 136.15 29.4 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.764 0.316 . . . . 0.0 110.533 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.12 140.12 43.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.478 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.23 140.66 8.5 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.511 -0.635 . . . . 0.0 111.511 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.77 161.3 30.18 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.671 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 46.5 t -129.42 130.46 67.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.872 0.368 . . . . 0.0 110.348 -178.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 60.5 t -106.44 112.77 40.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.713 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 68.0 mt -103.84 112.9 39.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.853 -176.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . 0.43 ' HB3' ' H ' ' D' ' 29' ' ' GLY . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.342 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . 0.451 ' H2 ' ' CD ' ' D' ' 3' ' ' GLU . 1.2 m-20 . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 121.129 0.49 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.16 35.15 1.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.733 0.778 . . . . 0.0 109.006 177.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.451 ' CD ' ' H2 ' ' D' ' 1' ' ' ASP . 4.0 mp0 -89.73 16.3 8.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.363 -175.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -70.32 -18.31 63.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.859 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -74.07 74.21 1.72 Allowed 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.331 0.586 . . . . 0.0 111.713 -178.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -148.02 31.2 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.039 0.447 . . . . 0.0 110.78 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -123.48 167.85 13.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.179 -178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 34.1 m -147.42 149.87 33.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.781 0.324 . . . . 0.0 110.184 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.75 -41.49 2.16 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.678 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -81.78 62.38 5.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.272 0.558 . . . . 0.0 109.896 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -145.9 145.92 30.89 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.323 -175.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 t -124.08 91.05 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.013 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -108.98 -57.49 2.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.881 0.372 . . . . 0.0 110.235 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -123.23 -26.84 4.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.263 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -92.27 125.13 36.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.131 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -150.97 -25.39 0.21 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.924 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 89.7 mt -74.8 -22.42 58.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.475 -178.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 47.6 t -65.32 -40.16 87.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.246 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -69.3 -29.97 67.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.383 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -80.4 -29.85 37.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.709 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.89 66.6 7.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.227 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -79.22 124.58 28.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 t70 58.18 73.33 0.48 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.31 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 28.4 m -118.49 157.92 19.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.497 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -143.54 168.07 26.39 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.02 -177.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 8.1 t -101.29 -19.12 15.78 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.829 0.347 . . . . 0.0 110.583 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -85.43 67.31 10.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.248 0.547 . . . . 0.0 110.726 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -133.49 89.61 2.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.481 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.43 ' H ' ' HB3' ' C' ' 42' ' ' ALA . . . 100.74 50.56 1.27 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.389 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.539 ' HA ' ' HB3' ' B' ' 42' ' ' ALA . . . -118.73 134.07 55.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.702 0.287 . . . . 0.0 110.789 -178.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.416 ' HB ' ' HB ' ' B' ' 41' ' ' ILE . 70.4 mt -133.15 125.35 51.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.948 0.404 . . . . 0.0 110.983 -176.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.79 137.03 58.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.59 130.32 3.89 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.015 177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 60.4 tp -123.66 127.13 47.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.787 0.327 . . . . 0.0 110.473 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 28.0 ttt -125.56 121.86 34.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.232 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 29.1 m -125.52 133.4 69.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.116 0.484 . . . . 0.0 110.81 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.71 142.22 12.1 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.986 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.24 143.91 12.74 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.108 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 33.8 m -124.09 131.63 72.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.036 0.446 . . . . 0.0 110.383 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.93 118.06 52.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.824 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 56.4 mt -116.83 125.09 73.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.932 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' B' ' 30' ' ' ALA . . . . . . . . 0 C--O 1.247 0.946 0 O-C-N 124.21 0.943 . . . . 0.0 111.121 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.644 0.259 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.97 79.62 7.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.997 0.427 . . . . 0.0 110.891 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -105.84 114.77 29.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.894 176.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 59.25 37.68 23.6 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.295 0.569 . . . . 0.0 110.272 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -71.39 115.02 10.06 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.852 -177.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -83.68 72.3 10.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.821 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -91.0 171.76 9.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.166 -177.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.1 p -151.41 138.52 19.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.713 0.292 . . . . 0.0 110.416 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.96 -60.76 0.13 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.21 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -146.68 152.87 39.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.909 0.385 . . . . 0.0 111.298 -176.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -112.24 129.76 56.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.213 172.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.94 134.8 54.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.857 0.36 . . . . 0.0 110.575 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -140.55 135.29 31.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -120.82 136.59 54.87 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -134.93 134.05 40.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.724 0.297 . . . . 0.0 110.335 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -122.8 133.77 54.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.317 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.64 121.97 31.85 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.835 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.0 m -125.43 137.63 57.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.088 0.47 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -135.68 138.94 43.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.457 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -132.76 133.57 43.61 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.327 0.584 . . . . 0.0 111.12 -177.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.34 128.86 54.49 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.681 176.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -92.16 -11.43 35.59 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.4 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -135.23 127.66 30.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.616 175.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 t -126.78 45.64 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 173.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.7 -64.95 0.56 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.235 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.0 m -154.85 -57.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.639 0.257 . . . . 0.0 111.295 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -129.87 30.94 4.79 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.583 0.23 . . . . 0.0 111.44 -176.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -121.75 149.13 43.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.781 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -126.86 154.82 19.45 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' B' ' 40' ' ' VAL . . . -141.81 130.75 23.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 117.426 0.613 . . . . 0.0 111.625 -176.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -122.09 128.67 75.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.6 tt -130.88 136.53 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.986 0.422 . . . . 0.0 110.499 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.79 142.43 10.62 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.737 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -140.05 140.7 36.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.006 0.431 . . . . 0.0 110.584 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 70.5 mtm -126.86 129.73 48.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.689 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -121.86 131.79 72.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.427 -178.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.76 130.58 9.02 Favored Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 175.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.35 145.52 17.35 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.625 -177.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.3 t -129.44 121.14 52.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.7 t -104.49 106.27 20.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.953 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.2 mt -100.59 140.93 18.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.467 -0.778 . . . . 0.0 110.743 179.793 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 121.067 0.46 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.82 135.53 54.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.307 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -91.16 -30.26 16.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.891 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -100.82 138.59 37.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.291 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -119.9 28.85 7.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.161 0.505 . . . . 0.0 110.03 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -85.92 -52.07 5.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.524 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -103.45 170.32 8.01 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.521 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 35.6 p -148.66 125.14 10.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.448 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.11 118.55 0.42 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.57 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -80.94 39.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.937 0.398 . . . . 0.0 110.748 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -85.13 51.75 2.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.237 0.542 . . . . 0.0 110.755 -176.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 29.7 m -129.95 162.02 38.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.027 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -118.55 41.33 3.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.789 0.328 . . . . 0.0 110.358 -178.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 59.55 -156.59 0.34 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.945 -177.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -85.83 -50.89 6.78 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 171.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -131.18 101.97 5.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.836 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 53.4 tp -70.63 -28.54 64.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.004 0.43 . . . . 0.0 109.892 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.1 p -61.5 -25.07 35.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.91 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -71.15 -28.91 64.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.46 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -88.87 -11.55 44.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.129 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.16 83.97 6.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.715 -175.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.07 -33.44 67.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.294 0.569 . . . . 0.0 110.222 173.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -145.57 -73.39 0.24 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.13 176.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 13.5 p -170.02 -36.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.144 173.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 175.54 -172.36 45.39 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.893 177.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 47.5 m 66.29 -174.96 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 122.887 0.475 . . . . 0.0 111.529 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 60.47 45.36 10.89 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.431 -177.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -126.25 129.65 49.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.448 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.64 78.0 0.59 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.154 -175.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.26 139.42 52.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -127.09 120.5 55.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.549 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -115.92 149.11 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.308 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.73 130.55 3.25 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.125 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -115.67 134.55 54.93 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 59.1 mtm -119.97 123.26 43.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.773 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -122.36 125.93 73.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.3 162.23 28.4 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.264 -0.97 . . . . 0.0 112.902 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.93 153.51 24.8 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.17 -0.538 . . . . 0.0 111.766 177.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -142.03 132.06 24.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.979 0.419 . . . . 0.0 110.604 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 16.8 m -124.34 123.53 66.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.8 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 58.2 mt -114.83 109.47 28.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.057 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.769 -179.187 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.757 0.313 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.62 79.62 8.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.007 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -105.95 114.59 28.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.851 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 59.48 37.42 22.95 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.322 0.582 . . . . 0.0 110.194 -177.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 30.3 ttt180 -70.99 115.32 9.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.005 -177.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -84.02 72.16 10.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.702 178.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -90.53 172.29 8.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.045 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 19.4 p -152.47 138.33 18.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.78 0.324 . . . . 0.0 110.428 -177.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.26 -60.35 0.12 Allowed Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.293 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -147.01 152.5 38.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.143 0.497 . . . . 0.0 111.404 -176.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -112.08 129.61 56.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.28 172.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -112.72 135.18 52.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.886 0.374 . . . . 0.0 110.582 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -141.1 135.49 31.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.759 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -120.9 136.43 54.94 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -134.68 134.08 40.72 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -123.01 133.85 54.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.983 0.42 . . . . 0.0 110.405 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 96.4 mt -127.61 121.97 31.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.726 178.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 20.5 m -125.37 137.39 57.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.982 0.42 . . . . 0.0 110.98 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -135.33 139.17 44.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -132.88 133.63 43.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.269 0.556 . . . . 0.0 111.12 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.43 129.02 54.56 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.665 176.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -92.34 -11.46 34.99 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.443 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -135.18 128.01 31.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.43 175.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 t -127.11 45.46 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 173.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.22 -65.88 0.55 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.102 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 21.0 m -154.43 -57.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.643 0.259 . . . . 0.0 111.259 178.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -129.83 30.68 4.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.528 0.204 . . . . 0.0 111.382 -176.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -121.57 149.17 43.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.743 -0.208 . . . . 0.0 110.588 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -126.77 155.23 19.57 Favored Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' D' ' 40' ' ' VAL . . . -142.35 130.76 22.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.346 0.573 . . . . 0.0 111.602 -177.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.98 128.75 75.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.524 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.7 tt -130.92 136.71 57.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.037 0.446 . . . . 0.0 110.574 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -146.03 141.95 10.12 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.665 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -139.76 140.74 36.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.025 0.441 . . . . 0.0 110.581 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 70.0 mtm -126.62 129.93 49.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.772 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.3 t -121.93 131.7 72.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.493 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.75 130.47 8.96 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.38 145.66 17.48 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.625 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 88.5 t -129.51 120.92 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.842 0.353 . . . . 0.0 110.08 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -104.25 106.09 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.978 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 24.8 mt -100.34 141.38 17.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.726 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 121.195 0.522 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.73 134.98 53.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.312 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -90.7 -30.17 17.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.061 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -100.87 138.34 38.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.298 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -119.51 28.36 8.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.136 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -85.46 -52.3 5.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.519 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -103.35 170.27 8.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.542 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 41.0 p -148.44 125.5 11.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.521 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.67 119.23 0.4 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.542 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -81.7 39.87 0.57 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.909 0.385 . . . . 0.0 110.755 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -85.02 51.74 2.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.709 -176.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 30.3 m -129.53 162.54 36.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.121 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -119.0 41.07 3.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.684 0.278 . . . . 0.0 110.439 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 59.42 -157.13 0.33 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.947 -177.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -85.37 -51.13 6.77 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 171.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -130.98 102.02 5.87 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.929 175.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 53.2 tp -70.53 -28.9 65.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.015 0.436 . . . . 0.0 109.84 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -61.49 -24.89 35.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.026 177.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -71.01 -29.09 64.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.424 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -88.74 -11.76 44.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.06 84.03 6.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.669 -175.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -57.12 -33.26 67.16 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.241 173.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.408 ' OD2' HG12 ' D' ' 24' ' ' VAL . 28.0 t70 -145.76 -73.72 0.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.058 176.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.408 HG12 ' OD2' ' D' ' 23' ' ' ASP . 13.6 p -169.58 -36.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.13 173.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.82 -173.34 46.11 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.818 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 46.3 m 67.27 -175.54 0.2 Allowed 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.888 0.475 . . . . 0.0 111.744 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 60.84 44.68 10.57 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.419 -177.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -125.18 129.39 50.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.515 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.35 77.99 0.62 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.134 -175.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.36 139.37 52.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.71 0.291 . . . . 0.0 110.852 -176.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 66.5 mt -127.05 120.08 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.495 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -115.72 149.35 17.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -150.66 130.8 3.33 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.033 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 96.8 mt -115.93 134.73 54.67 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 59.3 mtm -120.19 123.21 42.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -174.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.42 125.94 73.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.41 162.12 28.41 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.952 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -156.01 153.17 24.54 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 p -142.01 132.09 24.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.017 0.437 . . . . 0.0 110.504 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' C' ' 30' ' ' ALA . 16.8 m -124.25 123.53 66.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.683 178.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 58.9 mt -114.9 109.66 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.066 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.504 -0.76 . . . . 0.0 109.729 -179.001 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 110.712 -0.107 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.0 75.03 0.41 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.247 0.546 . . . . 0.0 111.2 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -67.44 -30.73 70.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.881 176.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -83.38 76.38 9.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.164 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -136.94 144.11 43.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.386 177.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -152.61 137.53 17.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.663 0.268 . . . . 0.0 110.663 -176.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.17 112.64 7.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.63 177.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -68.46 107.9 3.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.064 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.78 -58.15 1.54 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.688 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -142.79 152.34 42.15 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 177.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.16 134.05 55.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.829 0.347 . . . . 0.0 111.16 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.438 HG23 HG22 ' A' ' 39' ' ' VAL . 3.6 p -122.79 133.13 69.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.562 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -139.56 153.0 47.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.073 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -141.84 145.55 34.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.807 0.337 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -126.43 135.45 51.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.909 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -127.65 129.92 48.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.834 0.35 . . . . 0.0 110.789 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.4 mt -130.49 131.32 45.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.288 178.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.3 m -128.36 131.14 69.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.144 0.497 . . . . 0.0 110.68 178.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -134.96 129.33 34.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.507 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -101.46 111.43 23.66 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.677 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.17 127.68 46.39 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.935 0.397 . . . . 0.0 110.083 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -117.33 -25.58 7.0 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.293 0.568 . . . . 0.0 109.67 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -84.03 42.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.739 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -104.08 -0.39 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.994 0.426 . . . . 0.0 110.986 -178.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.63 -174.54 46.98 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.835 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.5 m -72.62 -50.39 25.55 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.71 0.29 . . . . 0.0 110.738 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -138.96 61.92 1.55 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.814 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -162.28 152.25 16.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.265 177.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.49 159.92 23.3 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.954 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' B' ' 40' ' ' VAL . . . -133.92 130.03 37.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.969 0.414 . . . . 0.0 110.864 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 31' ' ' ILE . 3.9 mp -103.39 123.1 56.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 63.9 mt -115.33 115.96 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.918 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.8 127.59 7.19 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.319 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.5 mt -131.21 130.29 42.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.659 0.266 . . . . 0.0 110.603 -177.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 66.7 mtt -134.86 133.36 39.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.513 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 64.2 t -130.33 131.86 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.386 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.87 130.72 8.91 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.35 138.93 11.01 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.956 -177.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.438 HG22 HG23 ' A' ' 12' ' ' VAL . 48.0 t -132.59 131.87 59.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.792 0.33 . . . . 0.0 110.747 -177.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.6 t -93.9 105.98 17.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 173.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.8 mt -99.48 112.53 32.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -175.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.417 178.542 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 121.097 0.475 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.14 39.28 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.659 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -63.65 -49.42 73.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.725 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -90.92 34.81 0.9 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.494 0.664 . . . . 0.0 110.022 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.565 ' HB3' ' OD1' ' B' ' 7' ' ' ASP . 25.7 mtp180 -138.09 -64.58 0.53 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.033 -178.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 56.31 39.74 30.07 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.723 0.773 . . . . 0.0 110.075 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . 0.565 ' OD1' ' HB3' ' B' ' 5' ' ' ARG . 9.4 p-10 -90.78 53.46 2.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.908 177.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 12.8 m -68.32 -19.77 64.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.763 -174.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.1 7.64 4.76 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.352 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.421 ' HB3' ' HB2' ' B' ' 7' ' ' ASP . 73.7 t80 -94.12 90.93 6.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.998 0.428 . . . . 0.0 110.968 -176.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 55.82 52.41 10.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.291 174.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 t -81.73 -49.94 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.568 176.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 54.63 72.41 0.47 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.886 175.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -137.05 150.85 48.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 176.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -63.21 131.8 49.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.854 -177.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -122.6 103.15 8.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.564 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 tp -67.6 -25.89 65.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.279 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 28.6 m -66.32 -24.03 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.903 177.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -84.18 -28.49 27.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.491 0.662 . . . . 0.0 109.662 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -80.71 -46.06 16.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.748 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.53 38.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.672 -175.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -91.73 -66.47 0.92 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 58.32 79.83 0.2 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.372 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -89.31 -26.99 5.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.19 0.519 . . . . 0.0 110.39 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.48 153.62 8.1 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.78 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 24.0 m 60.23 27.28 16.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.369 0.604 . . . . 0.0 110.708 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -102.55 8.73 39.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.064 -175.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -92.27 95.51 9.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.33 178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -149.72 172.71 29.63 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.674 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.22 130.78 41.82 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 54.5 mt -103.53 113.8 41.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 120.827 0.346 . . . . 0.0 110.368 -178.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -108.45 154.13 9.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.512 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.48 129.78 3.57 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.958 177.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.3 tp -107.47 125.41 51.22 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 63.1 mtt -113.06 122.12 46.63 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.392 -176.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.9 m -130.96 140.81 47.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.952 0.406 . . . . 0.0 110.276 177.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.94 162.01 31.44 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.082 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.85 139.55 8.05 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.583 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 27.5 m -130.84 134.86 61.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.027 0.441 . . . . 0.0 110.413 179.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 4.0 p -126.23 126.39 69.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.411 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mt -107.71 109.27 27.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.012 -179.722 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.39 75.14 0.4 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.271 0.558 . . . . 0.0 111.218 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.67 -30.47 70.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.814 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -83.44 76.21 9.94 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.143 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -136.83 144.03 43.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.477 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -152.59 137.28 16.96 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.532 0.206 . . . . 0.0 110.737 -175.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -71.02 112.55 7.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.639 177.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m -68.52 108.89 3.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.754 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.96 -57.71 1.47 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.604 177.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -142.66 152.14 42.12 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -117.97 134.34 55.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.853 0.359 . . . . 0.0 111.194 -176.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.441 HG23 HG22 ' C' ' 39' ' ' VAL . 3.7 p -122.89 132.77 70.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.614 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -139.2 152.74 47.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.938 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -141.66 145.44 34.95 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.718 0.294 . . . . 0.0 110.773 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -126.48 135.64 51.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.969 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -127.83 129.92 47.77 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.137 0.494 . . . . 0.0 110.9 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 96.1 mt -130.51 131.53 45.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.134 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 15.4 m -128.61 131.29 68.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.965 0.412 . . . . 0.0 110.538 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -135.06 129.32 33.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.66 -177.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -101.66 111.1 23.24 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.83 127.61 45.98 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.841 0.353 . . . . 0.0 110.173 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -117.4 -25.48 6.99 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.32 0.581 . . . . 0.0 109.702 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.29 42.38 0.88 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.725 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 27.5 m -104.05 -0.65 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.981 0.42 . . . . 0.0 110.995 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.85 -174.45 46.85 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.797 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.2 m -72.49 -50.52 25.4 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.888 0.375 . . . . 0.0 110.716 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -138.94 62.2 1.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.795 -177.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -162.34 152.39 16.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.256 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.4 160.11 23.33 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.792 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' D' ' 40' ' ' VAL . . . -133.97 130.06 37.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.027 0.442 . . . . 0.0 110.949 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.425 ' N ' HD12 ' C' ' 31' ' ' ILE . 3.9 mp -103.53 123.18 56.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 64.2 mt -115.37 115.72 50.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.55 127.41 7.15 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.441 -0.663 . . . . 0.0 111.441 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 78.6 mt -131.08 130.52 43.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.644 0.259 . . . . 0.0 110.691 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 66.0 mtt -135.03 133.13 39.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.762 0.315 . . . . 0.0 110.501 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 64.6 t -130.1 131.81 65.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.456 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.11 130.46 8.74 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.516 177.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.06 138.87 11.04 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.996 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.441 HG22 HG23 ' C' ' 12' ' ' VAL . 48.1 t -132.79 131.93 59.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.862 0.363 . . . . 0.0 110.621 -177.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.98 106.19 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 173.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 47.7 mt -99.54 112.76 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.748 -175.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.44 -0.79 . . . . 0.0 110.392 178.39 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 121.106 0.479 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.5 40.05 1.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.554 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -64.81 -49.21 71.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.491 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -90.79 34.75 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.402 0.62 . . . . 0.0 110.126 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . 0.559 ' HB3' ' OD1' ' D' ' 7' ' ' ASP . 25.9 mtp180 -138.31 -63.79 0.54 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.243 -178.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 55.77 39.76 30.76 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.719 0.771 . . . . 0.0 110.259 -178.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . 0.559 ' OD1' ' HB3' ' D' ' 5' ' ' ARG . 9.4 p-10 -90.82 53.63 2.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.874 177.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 13.5 m -68.43 -20.65 64.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.633 -174.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.68 7.19 5.23 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.462 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.434 ' HB3' ' HB2' ' D' ' 7' ' ' ASP . 74.7 t80 -93.92 91.11 6.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.949 0.404 . . . . 0.0 110.788 -176.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 55.76 52.9 10.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.171 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 25.2 t -82.3 -49.83 16.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 54.65 72.35 0.47 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.965 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -137.0 150.62 48.23 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -63.11 131.79 49.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.747 -177.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -122.46 102.5 8.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.745 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 47.1 tp -67.18 -25.64 66.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.324 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 28.1 m -66.38 -24.44 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -83.71 -28.82 28.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.288 0.566 . . . . 0.0 109.637 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -80.37 -46.0 16.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.807 -178.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.61 39.17 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.623 -175.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -92.06 -66.22 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 t70 58.24 80.17 0.19 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.353 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.16 -26.39 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.141 0.496 . . . . 0.0 110.439 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 128.16 153.31 8.06 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.641 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 25.3 m 60.69 27.17 16.91 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.351 0.596 . . . . 0.0 110.748 -179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -102.47 8.87 39.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.127 -175.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -92.51 95.46 9.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.198 0.523 . . . . 0.0 110.353 178.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . -149.49 172.58 29.47 Favored Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.579 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.23 130.74 41.86 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 56.2 mt -103.51 113.93 41.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.773 0.321 . . . . 0.0 110.381 -178.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 pp -108.48 154.44 9.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.496 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -145.66 129.85 3.58 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.067 177.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 57.4 tp -107.53 125.5 51.37 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 63.4 mtt -113.09 121.8 45.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.427 -176.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 24.9 m -130.85 140.83 47.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.035 0.445 . . . . 0.0 110.231 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.74 162.55 31.7 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.095 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.17 139.77 8.13 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.601 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 27.7 m -131.01 134.84 61.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.981 0.419 . . . . 0.0 110.352 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' C' ' 30' ' ' ALA . 4.1 p -126.26 126.29 69.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.455 176.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . . . . . . . . . 48.3 mt -107.67 109.22 27.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.055 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.329 -0.844 . . . . 0.0 110.081 -179.715 . . . . . . . . 0 0 . 1 stop_ save_