data_2l71_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2l71 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.56 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -62.79 -59.84 4.31 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.198 -0.906 . . . . 0.0 109.435 -175.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -58.35 -42.22 86.43 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 120.121 1.328 . . . . 0.0 111.043 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -67.31 -57.61 6.33 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.169 0.895 . . . . 0.0 109.38 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 mm -61.57 -37.78 78.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.143 -175.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -64.45 -50.0 69.24 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -53.49 -57.93 8.94 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -48.1 -51.58 23.99 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 118.44 0.564 . . . . 0.0 110.568 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -67.47 -63.64 1.02 Allowed 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 117.537 -1.221 . . . . 0.0 110.73 -170.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -59.66 -37.97 80.18 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 120.6 1.545 . . . . 0.0 110.244 -174.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.72 -52.98 53.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 CA-C-N 120.205 1.366 . . . . 0.0 108.374 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -55.97 -50.36 71.03 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.659 -0.816 . . . . 0.0 110.043 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.3 t90 -55.07 -44.79 75.14 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-O 118.413 -0.803 . . . . 0.0 111.622 -176.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.9 mt -69.02 -53.33 21.09 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 118.952 0.796 . . . . 0.0 109.808 -174.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 pp -61.66 -37.03 82.54 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.656 1.116 . . . . 0.0 109.875 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.66 81.22 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.506 -0.759 . . . . 0.0 110.331 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -50.27 -43.18 53.22 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 118.778 0.717 . . . . 0.0 109.299 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -75.26 -58.44 3.28 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.42 -53.11 5.1 Favored Glycine 0 C--N 1.353 1.506 0 CA-C-O 119.117 -0.824 . . . . 0.0 113.925 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt . . . . . 0 C--N 1.351 0.668 0 CA-C-O 117.829 -1.081 . . . . 0.0 111.058 -177.486 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.506 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.6 ttp -165.34 -61.18 0.03 OUTLIER 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -177.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.71 -44.48 73.8 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.22 -43.35 82.75 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.9 mm -68.03 -53.59 28.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -175.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -56.04 -46.36 78.9 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -47.31 -57.97 4.64 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.78 -0.628 . . . . 0.0 110.611 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -73.39 -34.93 65.8 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.399 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.56 -60.82 3.2 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 117.702 -1.142 . . . . 0.0 111.084 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -62.06 -36.27 81.14 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-N 120.508 1.504 . . . . 0.0 110.481 -174.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.4 t -58.71 -52.84 55.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -57.81 -51.77 68.2 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.76 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -55.15 -46.3 75.7 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 118.616 0.644 . . . . 0.0 111.325 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.8 mt -68.35 -51.01 49.2 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-O 118.44 -0.79 . . . . 0.0 110.016 -172.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 pp -62.21 -34.06 75.74 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 119.89 1.223 . . . . 0.0 109.272 177.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.63 -32.9 73.91 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.343 0.974 . . . . 0.0 110.605 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -52.95 -43.15 66.11 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.469 1.032 . . . . 0.0 109.025 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.41 -46.25 33.97 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 172.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.03 -37.65 16.62 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-O 118.433 -1.204 . . . . 0.0 114.072 -175.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt . . . . . 0 C--N 1.353 0.721 0 CA-C-N 119.681 1.74 . . . . 0.0 109.085 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.397 -1.287 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.7 mtm -51.13 -50.94 57.9 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 120.872 1.669 . . . . 0.0 108.383 174.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -59.15 -59.16 5.91 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.317 -0.849 . . . . 0.0 111.527 -173.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -66.06 -39.49 90.14 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.424 1.011 . . . . 0.0 110.934 -172.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.6 mm -72.79 -45.51 56.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-N 119.255 0.934 . . . . 0.0 108.59 -174.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -61.25 -48.21 82.52 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -49.61 -51.77 35.12 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.245 175.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -54.61 -46.81 73.89 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.178 0.899 . . . . 0.0 109.27 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -67.22 -60.22 2.78 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.233 -172.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -69.86 -36.99 75.98 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.528 -1.225 . . . . 0.0 111.505 -173.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.88 -52.47 60.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 121.244 1.838 . . . . 0.0 108.191 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -58.13 -47.74 82.38 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.316 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -60.68 -48.02 83.65 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 118.458 -0.782 . . . . 0.0 111.109 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.7 mt -56.86 -55.15 38.17 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 118.867 0.758 . . . . 0.0 109.386 -175.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.79 -32.02 73.1 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.818 -1.087 . . . . 0.0 110.377 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.49 35.25 1.84 Allowed 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.302 0.956 . . . . 0.0 110.782 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -86.01 -57.16 3.14 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 tptp -74.73 -40.72 61.11 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 174.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.91 -50.05 27.7 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-O 118.536 -1.147 . . . . 0.0 112.026 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.0 pttt . . . . . 0 C--N 1.353 0.757 0 CA-C-N 118.89 1.345 . . . . 0.0 109.579 -179.309 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.533 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.413 ' SD ' ' C ' ' A' ' 14' ' ' MET . 13.1 tmm? -147.98 -65.15 0.25 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-O 118.183 -0.913 . . . . 0.0 108.946 -176.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.69 -43.82 95.5 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 172.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.55 -47.67 84.46 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.241 178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 mm -60.31 -50.9 78.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.0 m170 -56.5 -42.02 77.65 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 118.948 -0.548 . . . . 0.0 109.686 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -57.52 -54.65 44.39 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -60.8 -38.53 85.67 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -178.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -60.18 -60.92 3.05 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.477 -1.249 . . . . 0.0 110.083 -176.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -67.78 -36.16 79.97 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.343 1.429 . . . . 0.0 111.24 -174.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.28 -59.28 4.33 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 120.944 1.702 . . . . 0.0 108.258 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -59.59 -45.1 92.89 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.208 -176.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -63.3 -55.61 23.26 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 117.698 -1.144 . . . . 0.0 110.029 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.5 mt -45.52 -61.18 1.79 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.567 1.076 . . . . 0.0 110.751 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.56 -34.45 76.97 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.184 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.61 -25.74 64.1 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.035 -1.459 . . . . 0.0 111.7 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -58.88 -31.25 68.4 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 121.049 1.75 . . . . 0.0 111.163 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -64.88 -52.17 58.0 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 174.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -50.81 -36.02 32.35 Favored Glycine 0 C--N 1.354 1.528 0 CA-C-O 118.566 -1.13 . . . . 0.0 111.797 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tppm? . . . . . 0 C--N 1.353 0.755 0 CA-C-N 118.774 1.287 . . . . 0.0 107.564 179.34 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.59 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 38.3 mmt -67.0 -35.94 81.07 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 117.706 -1.14 . . . . 0.0 111.577 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -60.62 -44.0 96.84 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 120.694 1.588 . . . . 0.0 108.659 177.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.7 -49.21 76.0 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.024 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.4 mm -59.18 -49.06 84.73 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -54.11 -44.55 71.37 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.893 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -55.06 -57.6 11.07 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.432 -0.907 . . . . 0.0 109.279 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -56.82 -40.03 75.26 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.568 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -61.99 -62.76 1.56 Allowed 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.553 -1.213 . . . . 0.0 110.38 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -66.16 -37.37 85.49 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 120.768 1.622 . . . . 0.0 111.093 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.4 t -58.18 -58.96 4.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 CA-C-N 120.164 1.347 . . . . 0.0 108.059 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -66.91 -49.34 65.86 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.731 -174.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -52.2 -49.64 63.5 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 118.852 0.751 . . . . 0.0 111.636 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.14 -51.95 58.14 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 119.503 -0.879 . . . . 0.0 109.897 -171.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -61.21 -34.73 75.58 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.065 1.302 . . . . 0.0 110.152 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.04 -17.74 60.44 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.699 -1.143 . . . . 0.0 111.913 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -56.98 -58.19 9.26 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.239 1.382 . . . . 0.0 108.807 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -24.21 67.38 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.226 0.921 . . . . 0.0 110.032 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -41.78 -43.82 4.24 Favored Glycine 0 C--N 1.355 1.622 0 CA-C-O 117.79 -1.561 . . . . 0.0 112.251 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt . . . . . 0 C--N 1.355 0.835 0 CA-C-N 119.821 1.81 . . . . 0.0 108.973 179.406 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.609 0 CA-C-O 118.229 -0.891 . . . . 0.0 109.147 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.41 ' SD ' ' C ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -52.94 -36.91 60.44 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.211 0.914 . . . . 0.0 110.286 -176.32 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.5 -44.76 89.92 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.358 0.981 . . . . 0.0 110.126 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.96 -43.11 79.77 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.706 -177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -63.6 -47.18 92.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -59.45 -51.73 68.65 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -44.89 -49.94 10.68 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 118.411 0.551 . . . . 0.0 110.749 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -75.4 -44.15 46.25 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.051 -177.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.28 -58.57 5.61 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 117.423 -1.275 . . . . 0.0 111.617 -172.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -57.41 -38.16 73.88 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 121.191 1.814 . . . . 0.0 110.086 -177.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.6 t -56.76 -49.46 78.34 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 CA-C-N 119.112 0.869 . . . . 0.0 109.392 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -59.86 -46.53 88.98 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.738 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -61.37 -52.92 62.6 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.531 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.9 mt -55.74 -38.84 70.31 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 117.991 -1.004 . . . . 0.0 111.71 -172.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 pp -80.36 -35.57 35.25 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.282 0.946 . . . . 0.0 111.25 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.6 -51.81 8.8 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 119.639 1.108 . . . . 0.0 111.886 -172.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 65.5 -124.63 0.36 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-O 115.932 -1.985 . . . . 0.0 109.156 173.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -47.61 -40.14 18.65 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 122.737 2.517 . . . . 0.0 109.107 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.26 -45.57 35.05 Favored Glycine 0 C--N 1.351 1.373 0 C-N-CA 119.624 -1.275 . . . . 0.0 111.724 177.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? . . . . . 0 C--N 1.354 0.775 0 CA-C-N 118.902 1.351 . . . . 0.0 108.925 -179.838 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.493 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -55.57 -38.61 69.59 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 118.607 -0.711 . . . . 0.0 110.846 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.99 -53.02 61.45 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.417 -0.913 . . . . 0.0 108.948 -177.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -65.54 -49.56 68.46 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.458 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.4 mm -65.25 -46.43 90.74 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 C-N-CA 119.709 -0.797 . . . . 0.0 108.869 -173.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -64.06 -52.04 61.23 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.36 -176.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -56.9 -48.9 77.11 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.518 1.054 . . . . 0.0 111.065 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.93 -35.73 82.11 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 118.886 -1.126 . . . . 0.0 108.97 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -64.88 -63.11 1.2 Allowed 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.907 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -69.16 -34.58 75.2 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 120.02 1.282 . . . . 0.0 111.862 -170.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.6 t -65.36 -51.63 61.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -56.51 -47.45 79.31 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 119.457 -0.897 . . . . 0.0 109.977 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -54.09 -46.5 72.08 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.791 -176.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.3 mt -71.21 -52.09 21.05 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.559 -0.857 . . . . 0.0 109.698 -173.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -59.46 -30.84 68.8 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.988 1.267 . . . . 0.0 110.541 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.63 -40.29 66.55 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.4 1.0 . . . . 0.0 110.202 177.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -50.16 -58.3 5.87 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 118.825 -0.607 . . . . 0.0 109.506 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.81 -42.0 77.89 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 176.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -35.74 -43.73 0.62 Allowed Glycine 0 C--N 1.354 1.555 0 CA-C-O 117.766 -1.575 . . . . 0.0 113.874 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt . . . . . 0 C--N 1.355 0.843 0 CA-C-N 120.226 2.013 . . . . 0.0 108.121 -179.126 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -66.94 -39.41 87.29 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 120.52 1.509 . . . . 0.0 108.718 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -67.19 -32.86 74.22 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.365 -0.826 . . . . 0.0 109.951 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -61.95 -44.31 97.03 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.345 0.975 . . . . 0.0 109.468 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.4 mm -68.85 -40.64 81.51 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -54.28 -48.73 70.92 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.311 1.414 . . . . 0.0 108.189 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.46 -56.52 14.53 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -50.68 -51.07 52.78 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 119.279 -0.968 . . . . 0.0 109.041 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.88 -71.4 0.15 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.527 -1.225 . . . . 0.0 111.278 -175.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -59.24 -29.48 67.57 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 121.271 1.85 . . . . 0.0 112.156 -170.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.0 -65.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-N 120.12 1.327 . . . . 0.0 108.468 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 25' ' ' TRP . 52.6 p-10 -66.51 -41.69 88.46 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.589 1.086 . . . . 0.0 111.546 -173.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.435 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 20.6 t90 -61.06 -49.84 75.73 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.385 -175.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.1 mt -76.77 -41.41 44.86 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 119.31 -0.956 . . . . 0.0 111.465 -170.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -57.96 -36.52 72.69 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 120.144 1.338 . . . . 0.0 108.941 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.59 -42.02 68.27 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.877 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -49.04 -49.8 39.45 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 118.811 0.732 . . . . 0.0 109.557 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -70.79 -44.32 66.85 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 119.777 -0.769 . . . . 0.0 109.047 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.66 -30.48 27.94 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-O 118.498 -1.168 . . . . 0.0 112.537 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt . . . . . 0 C--N 1.353 0.741 0 CA-C-N 119.309 1.555 . . . . 0.0 109.421 177.461 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.396 0 CA-C-O 117.941 -1.028 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.5 ptm -53.71 -35.69 61.43 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.221 1.373 . . . . 0.0 110.993 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.64 -47.0 77.07 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 119.452 -0.899 . . . . 0.0 108.781 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -59.41 -54.74 43.26 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.371 -0.932 . . . . 0.0 110.052 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.6 mm -70.31 -46.15 72.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 118.174 -0.917 . . . . 0.0 109.833 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -59.49 -50.01 75.59 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 119.914 1.233 . . . . 0.0 108.593 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -53.78 -54.9 31.71 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.369 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -51.09 -46.15 61.72 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.601 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -68.19 -60.47 2.45 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 117.752 -1.118 . . . . 0.0 111.206 -173.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -62.97 -37.76 88.42 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 120.461 1.482 . . . . 0.0 110.56 -175.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.6 -51.07 77.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-N 119.838 1.199 . . . . 0.0 108.223 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.58 -48.64 80.86 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.153 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -55.01 -50.02 70.07 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.944 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.7 mt -64.06 -51.45 64.06 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.477 -171.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -61.75 -36.12 80.08 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 119.811 1.187 . . . . 0.0 109.871 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.13 -23.07 60.44 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.895 -1.05 . . . . 0.0 111.851 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -53.83 -57.11 12.09 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.693 1.133 . . . . 0.0 108.801 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.76 -24.57 66.91 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.194 0.906 . . . . 0.0 111.488 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.28 -27.97 53.86 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 118.011 -1.438 . . . . 0.0 111.736 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.7 pttt . . . . . 0 C--N 1.355 0.829 0 CA-C-N 120.088 1.944 . . . . 0.0 109.698 178.643 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.43 0 CA-C-O 119.452 -0.309 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.2 mtm -149.79 -58.51 0.2 Allowed 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.198 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -56.3 -41.95 76.77 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.682 1.128 . . . . 0.0 110.433 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -63.66 -43.5 96.56 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.521 1.055 . . . . 0.0 108.512 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.4 mm -59.25 -37.37 68.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -66.58 -48.45 69.57 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 119.513 1.052 . . . . 0.0 108.555 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -49.45 -44.28 45.51 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -69.87 -45.66 67.21 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 119.97 -0.692 . . . . 0.0 109.877 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -65.79 -60.77 2.54 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.466 -1.254 . . . . 0.0 111.299 -174.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -62.26 -38.7 90.28 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.819 1.645 . . . . 0.0 110.649 -174.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.66 -55.88 20.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 119.803 1.183 . . . . 0.0 108.312 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.67 -48.32 82.14 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.096 -175.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 17.7 t90 -54.48 -48.0 72.31 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.383 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.51 -50.4 38.18 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.998 -171.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.01 -34.07 72.84 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.866 1.212 . . . . 0.0 109.943 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.61 -28.13 60.76 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.348 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -55.96 -44.57 78.61 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.94 1.245 . . . . 0.0 108.881 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -79.04 -49.75 12.17 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -45.75 -41.4 9.94 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 118.565 -1.131 . . . . 0.0 113.913 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt . . . . . 0 C--N 1.352 0.677 0 CA-C-N 119.309 1.555 . . . . 0.0 108.704 -179.809 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.543 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.3 ttp -164.6 -57.11 0.03 OUTLIER 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.852 -0.594 . . . . 0.0 110.289 -176.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.32 -49.61 71.08 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -56.34 -47.61 78.44 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 174.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.0 mm -54.46 -43.34 63.16 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -175.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -61.76 -60.51 3.54 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 119.577 1.08 . . . . 0.0 109.326 -178.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -59.16 -52.67 64.7 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.079 0.854 . . . . 0.0 109.615 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -48.52 -51.05 29.35 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-O 119.048 -0.501 . . . . 0.0 110.698 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.73 -58.48 3.44 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.717 -1.135 . . . . 0.0 110.919 -172.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -63.14 -40.43 97.55 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.287 1.403 . . . . 0.0 110.388 -174.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.0 t -61.8 -56.69 16.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-N 120.6 1.545 . . . . 0.0 108.063 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -52.56 -46.13 66.69 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.634 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -61.28 -48.57 80.81 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.338 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.3 mt -57.96 -56.62 19.66 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 119.205 0.911 . . . . 0.0 109.012 -176.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 pp -62.27 -35.19 78.23 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.694 -1.146 . . . . 0.0 110.664 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.38 49.25 0.85 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.716 1.144 . . . . 0.0 109.167 176.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -85.36 143.75 28.45 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.51 52.98 12.31 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -95.5 -57.73 1.17 Allowed Glycine 0 C--N 1.354 1.531 0 CA-C-O 118.222 -1.321 . . . . 0.0 109.824 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.356 0.877 0 CA-C-N 117.856 0.828 . . . . 0.0 112.841 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.522 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -54.67 -33.89 61.46 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.075 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -56.03 -52.5 64.03 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.337 0.972 . . . . 0.0 108.697 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -61.58 -49.83 75.07 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.14 -177.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.5 mm -63.87 -53.01 49.62 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 C-N-CA 119.552 -0.859 . . . . 0.0 108.993 -173.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -64.85 -53.28 49.21 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.858 -0.591 . . . . 0.0 109.421 -174.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -52.3 -51.22 59.83 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -57.62 -49.26 77.01 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.95 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.55 -62.96 1.17 Allowed 'General case' 0 C--N 1.352 0.697 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.349 -172.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -60.57 -31.01 70.16 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.704 1.138 . . . . 0.0 111.207 -173.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.0 t -60.96 -62.21 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 120.53 1.514 . . . . 0.0 108.441 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -56.39 -45.34 80.65 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.114 0.87 . . . . 0.0 110.663 -177.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -63.13 -58.74 6.22 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 119.399 -0.92 . . . . 0.0 110.903 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.6 mt -56.33 -42.01 77.0 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.284 -168.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 pp -72.08 -36.39 69.5 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.228 0.922 . . . . 0.0 111.068 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.59 -47.64 18.87 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.811 1.187 . . . . 0.0 112.563 -174.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 56.07 49.1 16.29 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -172.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -164.8 -57.33 0.03 OUTLIER 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.048 -0.977 . . . . 0.0 111.274 -177.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.86 -50.27 51.01 Favored Glycine 0 C--N 1.355 1.63 0 CA-C-N 119.905 1.229 . . . . 0.0 111.064 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.0 tttp . . . . . 0 C--N 1.352 0.716 0 CA-C-N 118.171 0.986 . . . . 0.0 109.197 177.542 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.459 0 CA-C-O 116.669 -1.634 . . . . 0.0 113.279 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -32.81 63.9 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 122.121 2.237 . . . . 0.0 109.075 177.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -60.48 -47.07 87.73 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.122 -0.942 . . . . 0.0 108.51 176.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -61.78 -46.38 89.8 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.339 0.972 . . . . 0.0 109.734 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.9 mm -57.29 -46.69 85.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -178.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -64.73 -47.81 76.91 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -49.05 -55.98 10.41 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 118.582 0.628 . . . . 0.0 109.609 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.77 -46.91 87.53 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.52 -62.76 1.29 Allowed 'General case' 0 C--N 1.351 0.653 0 CA-C-O 116.642 -1.647 . . . . 0.0 111.749 -171.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -58.1 -36.91 73.56 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 121.796 2.089 . . . . 0.0 111.111 -175.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -59.19 -54.27 36.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-N 120.203 1.365 . . . . 0.0 107.786 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -63.4 -39.72 95.27 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 120.574 -0.451 . . . . 0.0 111.265 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.441 ' CE2' ' NE2' ' A' ' 29' ' ' GLN . 89.2 t90 -70.26 -51.21 32.31 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 118.587 -0.721 . . . . 0.0 109.557 -175.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.1 mt -51.66 -56.09 15.63 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.86 -34.56 78.67 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.585 -177.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.11 -1.82 34.34 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 116.133 -1.889 . . . . 0.0 112.573 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.441 ' NE2' ' CE2' ' A' ' 25' ' ' TRP . 31.6 mm-40 -61.01 -44.11 97.89 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 122.314 2.325 . . . . 0.0 109.785 176.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -55.87 -48.92 74.7 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 174.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.52 -34.81 60.44 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.701 176.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.1 tttm . . . . . 0 C--N 1.352 0.707 0 CA-C-N 119.397 1.599 . . . . 0.0 108.733 -178.793 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.54 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -41.67 -31.33 0.28 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.693 1.588 . . . . 0.0 113.323 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -49.58 -44.29 46.8 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 120.652 1.569 . . . . 0.0 110.325 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -60.04 -46.37 89.73 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 175.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.7 mm -58.64 -32.31 45.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-O 118.21 -0.9 . . . . 0.0 109.044 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -64.33 -46.65 82.58 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 120.2 1.364 . . . . 0.0 107.607 177.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -56.97 -54.03 51.36 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.698 -0.801 . . . . 0.0 108.988 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -50.28 -44.51 53.88 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 120.221 -0.592 . . . . 0.0 109.652 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -67.63 -65.45 0.69 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.27 -1.348 . . . . 0.0 110.64 -175.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -61.92 -38.85 89.98 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 121.484 1.947 . . . . 0.0 110.464 -173.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.68 -56.26 18.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 CA-C-N 119.991 1.269 . . . . 0.0 108.905 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -67.21 -49.97 62.6 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.36 -174.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.8 t90 -49.38 -47.42 47.66 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 118.415 -0.802 . . . . 0.0 112.587 -177.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.8 mt -68.67 -56.12 9.2 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.432 -0.907 . . . . 0.0 109.169 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 pp -61.57 -26.37 67.91 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.662 -1.161 . . . . 0.0 110.924 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.96 -42.95 46.93 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.94 1.245 . . . . 0.0 109.223 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -58.0 -57.27 13.53 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -62.32 -44.12 97.24 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.33 -50.86 5.47 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-O 117.904 -1.498 . . . . 0.0 113.367 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 pttp . . . . . 0 C--N 1.355 0.811 0 CA-C-N 120.073 1.936 . . . . 0.0 107.576 -179.104 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.578 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.9 ptm -48.66 -36.94 17.07 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-O 117.733 -1.127 . . . . 0.0 112.484 -177.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -67.75 -53.17 29.4 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 120.363 1.438 . . . . 0.0 108.442 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -52.07 -48.19 64.78 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 118.997 0.817 . . . . 0.0 110.377 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.1 mm -73.11 -44.38 56.4 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.388 -172.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -63.96 -53.3 52.44 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 119.802 1.183 . . . . 0.0 108.044 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -49.18 -57.69 6.28 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -53.18 -46.34 68.92 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 119.165 -0.445 . . . . 0.0 111.467 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -76.5 -56.75 4.34 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 117.835 -1.079 . . . . 0.0 111.315 -169.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -65.67 -37.93 87.86 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 120.426 1.466 . . . . 0.0 109.574 -175.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.1 t -54.53 -47.36 71.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 120.513 1.506 . . . . 0.0 107.514 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -62.51 -38.28 89.32 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.45 -0.786 . . . . 0.0 111.73 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -69.26 -47.03 65.83 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.142 1.337 . . . . 0.0 110.904 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -55.25 -52.93 61.83 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.52 -36.49 78.51 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.98 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.82 24.99 3.82 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.539 1.063 . . . . 0.0 112.45 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 30' ' ' LYS . 19.2 tt0 -78.57 -34.05 47.25 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.167 -1.396 . . . . 0.0 109.673 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -24.0 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.358 0.937 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -179.141 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.42 19.69 1.88 Allowed Glycine 0 C--N 1.354 1.575 0 CA-C-O 116.146 -2.474 . . . . 0.0 114.136 178.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? . . . . . 0 C--N 1.36 1.04 0 CA-C-N 121.389 2.594 . . . . 0.0 107.227 179.372 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 CA--C 1.51 -0.594 0 CA-C-O 118.579 -0.724 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.72 50.64 1.4 Allowed 'General case' 0 C--N 1.355 0.817 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 173.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.6 148.31 51.58 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 117.932 -1.032 . . . . 0.0 108.22 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.56 -45.79 1.26 Allowed Glycine 0 C--N 1.355 1.622 0 N-CA-C 107.429 -2.268 . . . . 0.0 107.429 -171.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.3 p -99.82 28.76 4.54 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-O 118.087 -0.958 . . . . 0.0 110.481 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -88.43 63.53 7.11 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.3 mt -95.68 -56.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 N-CA-C 107.67 -1.234 . . . . 0.0 107.67 -175.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.0 m -65.3 -51.14 62.62 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 10.2 t70 -165.64 -74.71 0.03 OUTLIER 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.248 -0.882 . . . . 0.0 109.634 -178.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.429 ' CG ' ' O ' ' A' ' 9' ' ' ASP . 56.0 m-85 -169.15 -56.61 0.02 OUTLIER 'General case' 0 C--N 1.354 0.777 0 CA-C-N 119.088 0.858 . . . . 0.0 109.487 -176.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -146.08 55.95 1.18 Allowed 'General case' 0 C--N 1.355 0.83 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.8 mt -119.81 -63.38 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.899 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.98 -40.31 65.38 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 174.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -62.79 -59.84 4.31 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.198 -0.906 . . . . 0.0 109.435 -175.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -58.35 -42.22 86.43 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 120.121 1.328 . . . . 0.0 111.043 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -67.31 -57.61 6.33 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.169 0.895 . . . . 0.0 109.38 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 mm -61.57 -37.78 78.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.143 -175.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -64.45 -50.0 69.24 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -53.49 -57.93 8.94 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -48.1 -51.58 23.99 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 118.44 0.564 . . . . 0.0 110.568 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -67.47 -63.64 1.02 Allowed 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 117.537 -1.221 . . . . 0.0 110.73 -170.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -59.66 -37.97 80.18 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 120.6 1.545 . . . . 0.0 110.244 -174.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.72 -52.98 53.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 CA-C-N 120.205 1.366 . . . . 0.0 108.374 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -55.97 -50.36 71.03 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.659 -0.816 . . . . 0.0 110.043 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.3 t90 -55.07 -44.79 75.14 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-O 118.413 -0.803 . . . . 0.0 111.622 -176.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.9 mt -69.02 -53.33 21.09 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 118.952 0.796 . . . . 0.0 109.808 -174.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 pp -61.66 -37.03 82.54 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.656 1.116 . . . . 0.0 109.875 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.66 81.22 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.506 -0.759 . . . . 0.0 110.331 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -50.27 -43.18 53.22 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 118.778 0.717 . . . . 0.0 109.299 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -75.26 -58.44 3.28 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.42 -53.11 5.1 Favored Glycine 0 C--N 1.353 1.506 0 CA-C-O 119.117 -0.824 . . . . 0.0 113.925 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -53.11 -34.9 58.74 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 117.829 -1.081 . . . . 0.0 111.058 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -46.41 -46.09 18.41 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.788 1.176 . . . . 0.0 109.379 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -62.61 -54.69 35.88 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 118.208 -0.901 . . . . 0.0 108.728 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -92.88 49.9 1.5 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-N 118.937 0.79 . . . . 0.0 110.984 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -162.79 -60.95 0.04 OUTLIER 'General case' 0 C--N 1.354 0.803 0 CA-C-O 118.371 -0.824 . . . . 0.0 108.841 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -81.25 -53.52 6.28 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 176.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -104.76 44.25 1.04 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-N 118.612 0.642 . . . . 0.0 109.758 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -72.16 -38.11 69.22 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.0 tt -45.36 -28.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.879 0 CA-C-O 117.981 -1.009 . . . . 0.0 111.892 173.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.288 9.7 t 55.63 64.99 1.58 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.479 1.036 . . . . 0.0 109.961 178.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--N 1.356 0.859 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.445 -178.925 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 CA--C 1.505 -0.77 0 CA-C-O 117.87 -1.062 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.31 -51.25 70.57 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -54.76 143.36 25.65 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.922 -1.037 . . . . 0.0 109.385 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.24 -67.32 3.64 Favored Glycine 0 C--N 1.356 1.643 0 CA-C-N 119.44 1.018 . . . . 0.0 110.76 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.3 p -60.32 -37.97 82.26 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 118.395 1.098 . . . . 0.0 110.938 -174.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -52.51 -38.07 58.77 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.187 0.903 . . . . 0.0 110.775 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.5 -52.52 25.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -173.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.3 t -72.91 -86.04 0.03 OUTLIER 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.378 -1.296 . . . . 0.0 108.11 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -163.47 52.8 0.16 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.856 1.662 . . . . 0.0 110.061 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 52.01 -96.18 0.05 OUTLIER 'General case' 0 C--N 1.353 0.743 0 CA-C-O 116.546 -1.692 . . . . 0.0 110.069 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 m -150.49 49.91 0.88 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-N 122.021 2.192 . . . . 0.0 110.971 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.8 mt -127.86 -71.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.94 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.9 63.21 5.94 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 171.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.6 ttp -165.34 -61.18 0.03 OUTLIER 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -177.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.71 -44.48 73.8 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.22 -43.35 82.75 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.9 mm -68.03 -53.59 28.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -175.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -56.04 -46.36 78.9 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -47.31 -57.97 4.64 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.78 -0.628 . . . . 0.0 110.611 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -73.39 -34.93 65.8 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.399 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.56 -60.82 3.2 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 117.702 -1.142 . . . . 0.0 111.084 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -62.06 -36.27 81.14 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-N 120.508 1.504 . . . . 0.0 110.481 -174.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.4 t -58.71 -52.84 55.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -57.81 -51.77 68.2 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.76 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -55.15 -46.3 75.7 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 118.616 0.644 . . . . 0.0 111.325 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.8 mt -68.35 -51.01 49.2 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-O 118.44 -0.79 . . . . 0.0 110.016 -172.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 pp -62.21 -34.06 75.74 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 119.89 1.223 . . . . 0.0 109.272 177.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.63 -32.9 73.91 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.343 0.974 . . . . 0.0 110.605 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -52.95 -43.15 66.11 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.469 1.032 . . . . 0.0 109.025 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.41 -46.25 33.97 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 172.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.03 -37.65 16.62 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-O 118.433 -1.204 . . . . 0.0 114.072 -175.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -65.8 -33.22 75.36 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.681 1.74 . . . . 0.0 109.085 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -62.06 -50.83 70.43 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 106.1 -1.815 . . . . 0.0 106.1 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -57.88 -29.2 64.85 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.4 -1.286 . . . . 0.0 112.391 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -132.35 41.74 3.18 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 119.834 1.197 . . . . 0.0 111.606 -176.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -156.78 -68.45 0.1 Allowed 'General case' 0 C--N 1.353 0.741 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 172.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -51.93 66.67 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 105.287 -2.116 . . . . 0.0 105.287 177.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -61.48 -40.15 93.5 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.17 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.48 -19.13 45.5 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 117.394 -1.289 . . . . 0.0 111.92 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.3 mt -56.74 -59.16 3.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 174.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 t -65.23 -37.63 87.87 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.073 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 C--N 1.355 0.808 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 177.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 . . . . . 0 CA--C 1.508 -0.67 0 CA-C-O 118.111 -0.947 . . . . 0.0 108.632 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.67 -46.65 74.08 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 173.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -54.49 143.55 23.81 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.926 -1.035 . . . . 0.0 109.238 178.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.08 -68.98 3.01 Favored Glycine 0 C--N 1.353 1.521 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.3 p -57.06 -32.53 66.33 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 117.341 -1.314 . . . . 0.0 111.129 -176.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -53.37 -38.12 63.04 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 120.698 1.59 . . . . 0.0 109.889 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.69 -48.52 88.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.6 t -67.95 -102.34 0.0 OUTLIER 'General case' 0 C--N 1.354 0.787 0 CA-C-O 116.628 -1.653 . . . . 0.0 107.445 172.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -162.73 58.39 0.21 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 122.198 2.272 . . . . 0.0 110.973 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 58.06 -105.81 0.28 Allowed 'General case' 0 C--N 1.353 0.755 0 CA-C-O 116.55 -1.69 . . . . 0.0 113.74 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.9 m -159.32 -65.05 0.08 Allowed 'General case' 0 C--N 1.356 0.851 0 CA-C-N 122.113 2.233 . . . . 0.0 111.318 -174.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.5 mm -68.27 -42.34 84.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 N-CA-C 105.534 -2.024 . . . . 0.0 105.534 173.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.3 -43.7 83.46 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.397 -1.287 . . . . 0.0 109.495 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.7 mtm -51.13 -50.94 57.9 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 120.872 1.669 . . . . 0.0 108.383 174.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -59.15 -59.16 5.91 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.317 -0.849 . . . . 0.0 111.527 -173.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -66.06 -39.49 90.14 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.424 1.011 . . . . 0.0 110.934 -172.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.6 mm -72.79 -45.51 56.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-N 119.255 0.934 . . . . 0.0 108.59 -174.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -61.25 -48.21 82.52 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -49.61 -51.77 35.12 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.245 175.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -54.61 -46.81 73.89 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.178 0.899 . . . . 0.0 109.27 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -67.22 -60.22 2.78 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.233 -172.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -69.86 -36.99 75.98 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.528 -1.225 . . . . 0.0 111.505 -173.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.88 -52.47 60.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 121.244 1.838 . . . . 0.0 108.191 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -58.13 -47.74 82.38 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.316 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -60.68 -48.02 83.65 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 118.458 -0.782 . . . . 0.0 111.109 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.7 mt -56.86 -55.15 38.17 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 118.867 0.758 . . . . 0.0 109.386 -175.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.79 -32.02 73.1 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.818 -1.087 . . . . 0.0 110.377 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.49 35.25 1.84 Allowed 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.302 0.956 . . . . 0.0 110.782 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -86.01 -57.16 3.14 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 tptp -74.73 -40.72 61.11 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 174.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.91 -50.05 27.7 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-O 118.536 -1.147 . . . . 0.0 112.026 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -62.77 -44.06 97.19 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 118.89 1.345 . . . . 0.0 109.579 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -53.76 -51.43 63.43 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.761 1.164 . . . . 0.0 108.777 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -62.44 -41.12 98.5 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.162 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -112.84 45.6 1.32 Allowed 'General case' 0 C--N 1.355 0.83 0 CA-C-N 118.612 0.642 . . . . 0.0 110.499 -174.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -168.46 -59.71 0.02 OUTLIER 'General case' 0 C--N 1.354 0.784 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -89.47 75.75 7.55 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -136.7 45.14 2.31 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -80.18 -53.83 6.31 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.3 tt -65.12 150.69 10.47 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-O 117.585 -1.198 . . . . 0.0 108.245 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.7 t -55.35 122.95 12.29 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 . . . . . 0 C--N 1.353 0.741 0 CA-C-N 119.87 1.214 . . . . 0.0 109.791 -173.331 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 . . . . . 0 CA--C 1.512 -0.495 0 CA-C-O 119.21 -0.424 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.0 104.51 0.72 Allowed 'General case' 0 C--N 1.354 0.77 0 CA-C-O 118.238 -0.887 . . . . 0.0 108.838 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -73.65 146.72 44.34 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 119.575 1.08 . . . . 0.0 109.314 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.35 -39.5 3.0 Favored Glycine 0 C--N 1.357 1.735 0 CA-C-N 119.556 1.071 . . . . 0.0 112.278 177.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.4 p -60.88 -28.44 68.87 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 118.723 1.261 . . . . 0.0 110.96 -178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -55.86 -35.13 66.12 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 121.36 1.891 . . . . 0.0 109.071 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.2 mt -71.45 -60.56 2.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.0 t -65.49 -58.23 6.32 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 119.429 1.013 . . . . 0.0 110.761 -171.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.52 -45.03 56.17 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-O 118.089 -0.958 . . . . 0.0 112.27 -173.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 72.58 -70.9 0.15 Allowed 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.789 -1.101 . . . . 0.0 109.417 -171.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.0 t -161.83 63.02 0.25 Allowed 'General case' 0 C--N 1.356 0.859 0 CA-C-N 120.458 1.481 . . . . 0.0 110.838 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.4 mm -134.5 -70.65 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.915 0 CA-C-O 117.995 -1.002 . . . . 0.0 108.892 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.01 59.43 0.61 Allowed 'General case' 0 C--N 1.358 0.937 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 175.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.413 ' SD ' ' C ' ' A' ' 14' ' ' MET . 13.1 tmm? -147.98 -65.15 0.25 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-O 118.183 -0.913 . . . . 0.0 108.946 -176.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.69 -43.82 95.5 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 172.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.55 -47.67 84.46 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.241 178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 mm -60.31 -50.9 78.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.0 m170 -56.5 -42.02 77.65 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 118.948 -0.548 . . . . 0.0 109.686 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -57.52 -54.65 44.39 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -60.8 -38.53 85.67 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -178.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -60.18 -60.92 3.05 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.477 -1.249 . . . . 0.0 110.083 -176.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -67.78 -36.16 79.97 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.343 1.429 . . . . 0.0 111.24 -174.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.28 -59.28 4.33 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 120.944 1.702 . . . . 0.0 108.258 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -59.59 -45.1 92.89 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.208 -176.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -63.3 -55.61 23.26 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 117.698 -1.144 . . . . 0.0 110.029 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.5 mt -45.52 -61.18 1.79 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.567 1.076 . . . . 0.0 110.751 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.56 -34.45 76.97 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.184 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.61 -25.74 64.1 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.035 -1.459 . . . . 0.0 111.7 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -58.88 -31.25 68.4 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 121.049 1.75 . . . . 0.0 111.163 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -64.88 -52.17 58.0 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 174.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -50.81 -36.02 32.35 Favored Glycine 0 C--N 1.354 1.528 0 CA-C-O 118.566 -1.13 . . . . 0.0 111.797 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tppm? -59.39 -51.0 71.8 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 118.774 1.287 . . . . 0.0 107.564 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -56.6 -44.52 81.17 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 119.426 1.012 . . . . 0.0 109.052 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -62.72 -27.8 69.52 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 118.847 0.749 . . . . 0.0 111.499 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -78.55 13.94 1.44 Allowed 'General case' 0 C--N 1.355 0.822 0 CA-C-N 119.729 1.15 . . . . 0.0 112.555 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -149.2 -62.78 0.23 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 120.76 1.618 . . . . 0.0 109.454 -176.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.19 -49.92 76.01 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.684 1.129 . . . . 0.0 109.273 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -79.96 -42.97 22.9 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.066 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -54.4 -50.81 66.69 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 119.187 0.903 . . . . 0.0 109.843 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 41' ' ' THR . 1.7 mp -74.45 148.22 8.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 172.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 40' ' ' ILE . 38.2 m -19.46 114.0 0.02 OUTLIER 'General case' 0 C--N 1.356 0.863 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.355 0.841 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.016 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.53 73.58 6.2 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 172.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -71.2 88.35 0.82 Allowed 'General case' 0 C--N 1.355 0.829 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -174.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.3 -44.32 0.55 Allowed Glycine 0 C--N 1.353 1.524 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 p -59.76 -33.34 71.54 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.812 -1.089 . . . . 0.0 111.006 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -57.8 -32.26 67.38 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.015 1.279 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.8 mt -57.2 -51.74 65.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.1 t -66.5 -55.5 15.26 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 118.291 -0.862 . . . . 0.0 109.738 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -156.69 -68.16 0.1 Allowed 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.632 -1.175 . . . . 0.0 111.433 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -155.16 -74.24 0.11 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.337 1.426 . . . . 0.0 111.052 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.3 t 172.98 -55.01 0.01 OUTLIER 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.102 0.865 . . . . 0.0 109.768 -173.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.84 -51.07 53.89 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.9 -49.61 62.68 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.91 -0.716 . . . . 0.0 109.46 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 38.3 mmt -67.0 -35.94 81.07 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 117.706 -1.14 . . . . 0.0 111.577 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -60.62 -44.0 96.84 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 120.694 1.588 . . . . 0.0 108.659 177.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.7 -49.21 76.0 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.024 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.4 mm -59.18 -49.06 84.73 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -54.11 -44.55 71.37 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.893 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -55.06 -57.6 11.07 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.432 -0.907 . . . . 0.0 109.279 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -56.82 -40.03 75.26 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.568 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -61.99 -62.76 1.56 Allowed 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.553 -1.213 . . . . 0.0 110.38 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -66.16 -37.37 85.49 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 120.768 1.622 . . . . 0.0 111.093 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.4 t -58.18 -58.96 4.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 CA-C-N 120.164 1.347 . . . . 0.0 108.059 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -66.91 -49.34 65.86 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.731 -174.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -52.2 -49.64 63.5 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 118.852 0.751 . . . . 0.0 111.636 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.14 -51.95 58.14 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 119.503 -0.879 . . . . 0.0 109.897 -171.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -61.21 -34.73 75.58 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.065 1.302 . . . . 0.0 110.152 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.04 -17.74 60.44 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.699 -1.143 . . . . 0.0 111.913 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -56.98 -58.19 9.26 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.239 1.382 . . . . 0.0 108.807 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -24.21 67.38 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.226 0.921 . . . . 0.0 110.032 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -41.78 -43.82 4.24 Favored Glycine 0 C--N 1.355 1.622 0 CA-C-O 117.79 -1.561 . . . . 0.0 112.251 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -66.15 -45.6 80.41 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 119.821 1.81 . . . . 0.0 108.973 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.36 -49.76 23.73 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 120.086 1.312 . . . . 0.0 108.939 -176.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -65.97 -49.49 67.67 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.912 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -93.8 40.44 1.08 Allowed 'General case' 0 C--N 1.355 0.817 0 CA-C-O 118.814 -0.612 . . . . 0.0 112.083 -175.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 72.1 t90 -168.92 -61.37 0.02 OUTLIER 'General case' 0 C--N 1.352 0.687 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.068 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -69.29 -67.5 0.47 Allowed 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -61.42 -38.77 88.31 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.438 1.017 . . . . 0.0 109.057 -176.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -41.74 -38.2 1.39 Allowed 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.565 177.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.9 mm -57.23 -57.59 9.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-N 119.654 1.115 . . . . 0.0 108.575 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 t -67.44 -40.07 85.42 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.941 -1.028 . . . . 0.0 111.004 -175.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 . . . . . 0 C--N 1.354 0.769 0 CA-C-N 119.182 0.901 . . . . 0.0 109.821 -179.851 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 . . . . . 0 CA--C 1.511 -0.54 0 CA-C-O 118.433 -0.794 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.42 66.58 1.48 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -63.08 144.7 56.67 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.584 -1.198 . . . . 0.0 108.568 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.02 -38.92 2.95 Favored Glycine 0 C--N 1.356 1.669 0 CA-C-O 118.344 -1.253 . . . . 0.0 111.913 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.6 p -68.95 -50.31 50.34 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.565 1.682 . . . . 0.0 107.318 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -57.7 -34.59 69.6 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 119.356 -0.938 . . . . 0.0 110.073 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.37 -51.35 73.96 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 t -67.14 -60.66 2.42 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.005 0.821 . . . . 0.0 111.866 -176.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -85.05 -27.98 25.99 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.625 -1.179 . . . . 0.0 113.984 -171.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 72.62 -74.68 0.08 Allowed 'General case' 0 C--N 1.352 0.679 0 CA-C-O 117.895 -1.05 . . . . 0.0 109.527 -175.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.5 t -162.18 57.8 0.24 Allowed 'General case' 0 C--N 1.354 0.798 0 CA-C-N 120.388 1.449 . . . . 0.0 111.654 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.3 mt -135.92 -77.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.848 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.55 -45.35 54.08 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.756 1.162 . . . . 0.0 109.147 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.41 ' SD ' ' C ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -52.94 -36.91 60.44 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.211 0.914 . . . . 0.0 110.286 -176.32 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.5 -44.76 89.92 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.358 0.981 . . . . 0.0 110.126 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.96 -43.11 79.77 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.706 -177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -63.6 -47.18 92.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -59.45 -51.73 68.65 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -44.89 -49.94 10.68 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 118.411 0.551 . . . . 0.0 110.749 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -75.4 -44.15 46.25 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.051 -177.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.28 -58.57 5.61 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 117.423 -1.275 . . . . 0.0 111.617 -172.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -57.41 -38.16 73.88 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 121.191 1.814 . . . . 0.0 110.086 -177.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.6 t -56.76 -49.46 78.34 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 CA-C-N 119.112 0.869 . . . . 0.0 109.392 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -59.86 -46.53 88.98 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.738 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -61.37 -52.92 62.6 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.531 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.9 mt -55.74 -38.84 70.31 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 117.991 -1.004 . . . . 0.0 111.71 -172.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 pp -80.36 -35.57 35.25 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.282 0.946 . . . . 0.0 111.25 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.6 -51.81 8.8 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 119.639 1.108 . . . . 0.0 111.886 -172.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 65.5 -124.63 0.36 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-O 115.932 -1.985 . . . . 0.0 109.156 173.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -47.61 -40.14 18.65 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 122.737 2.517 . . . . 0.0 109.107 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.26 -45.57 35.05 Favored Glycine 0 C--N 1.351 1.373 0 C-N-CA 119.624 -1.275 . . . . 0.0 111.724 177.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -63.18 -54.49 36.75 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 118.902 1.351 . . . . 0.0 108.925 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -51.3 -55.56 17.67 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -51.49 -40.68 60.02 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.306 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -102.45 38.78 1.62 Allowed 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.003 0.82 . . . . 0.0 110.886 -178.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -164.42 -63.32 0.04 OUTLIER 'General case' 0 C--N 1.356 0.862 0 CA-C-N 119.925 1.239 . . . . 0.0 110.441 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -100.25 92.76 5.35 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 103.272 -2.862 . . . . 0.0 103.272 175.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -159.71 -54.92 0.06 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.885 -1.055 . . . . 0.0 111.55 -174.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -36.3 -38.03 0.14 Allowed 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.585 1.084 . . . . 0.0 113.524 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.78 -56.3 13.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.5 m -63.75 -59.05 5.06 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 176.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 . . . . . 0 CA--C 1.505 -0.786 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -177.686 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 CA--C 1.508 -0.672 0 CA-C-O 117.758 -1.115 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.01 -53.71 7.44 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 118.952 0.796 . . . . 0.0 109.194 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -53.51 128.62 29.58 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 117.476 -1.249 . . . . 0.0 108.817 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.41 -51.35 3.35 Favored Glycine 0 C--N 1.356 1.651 0 CA-C-N 119.74 1.154 . . . . 0.0 111.719 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.5 p -70.75 -40.19 72.84 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.215 1.508 . . . . 0.0 108.76 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -55.85 -36.25 67.34 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.172 1.351 . . . . 0.0 108.846 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.69 -53.41 42.51 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.9 t -89.6 -61.92 1.59 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.019 0.827 . . . . 0.0 111.812 -172.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -74.77 -26.29 59.65 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.326 -1.321 . . . . 0.0 112.146 -175.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 69.19 -74.61 0.08 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.639 1.109 . . . . 0.0 109.852 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.1 m -163.51 -57.6 0.04 OUTLIER 'General case' 0 C--N 1.351 0.646 0 CA-C-N 119.39 0.995 . . . . 0.0 110.842 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.4 mm 78.57 -61.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.72 55.92 0.68 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-N 119.316 0.962 . . . . 0.0 108.484 174.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -55.57 -38.61 69.59 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 118.607 -0.711 . . . . 0.0 110.846 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.99 -53.02 61.45 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.417 -0.913 . . . . 0.0 108.948 -177.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -65.54 -49.56 68.46 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.458 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.4 mm -65.25 -46.43 90.74 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 C-N-CA 119.709 -0.797 . . . . 0.0 108.869 -173.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -64.06 -52.04 61.23 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.36 -176.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -56.9 -48.9 77.11 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.518 1.054 . . . . 0.0 111.065 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.93 -35.73 82.11 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 118.886 -1.126 . . . . 0.0 108.97 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -64.88 -63.11 1.2 Allowed 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.907 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -69.16 -34.58 75.2 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 120.02 1.282 . . . . 0.0 111.862 -170.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.6 t -65.36 -51.63 61.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -56.51 -47.45 79.31 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 119.457 -0.897 . . . . 0.0 109.977 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -54.09 -46.5 72.08 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.791 -176.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.3 mt -71.21 -52.09 21.05 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.559 -0.857 . . . . 0.0 109.698 -173.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -59.46 -30.84 68.8 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.988 1.267 . . . . 0.0 110.541 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.63 -40.29 66.55 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.4 1.0 . . . . 0.0 110.202 177.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -50.16 -58.3 5.87 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 118.825 -0.607 . . . . 0.0 109.506 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.81 -42.0 77.89 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 176.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -35.74 -43.73 0.62 Allowed Glycine 0 C--N 1.354 1.555 0 CA-C-O 117.766 -1.575 . . . . 0.0 113.874 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 36' ' ' TRP . 15.7 ptmt -63.84 -47.72 79.66 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.226 2.013 . . . . 0.0 108.121 -179.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -51.62 -52.05 50.77 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 120.222 1.374 . . . . 0.0 108.448 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -53.8 -39.25 65.31 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.704 -1.141 . . . . 0.0 111.324 -177.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -134.03 49.43 2.26 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 118.937 0.79 . . . . 0.0 111.952 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.422 ' N ' ' O ' ' A' ' 32' ' ' LYS . 3.6 t90 -155.04 -63.13 0.12 Allowed 'General case' 0 C--N 1.354 0.793 0 CA-C-O 118.727 -0.654 . . . . 0.0 109.531 174.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -73.94 -52.19 13.64 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -58.52 -38.71 78.31 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 119.751 -0.78 . . . . 0.0 109.452 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -58.02 -46.47 85.23 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.736 -0.65 . . . . 0.0 110.622 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.3 mt -58.01 -60.24 2.46 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.263 -176.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.9 t -55.57 -39.73 71.04 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 118.89 -1.124 . . . . 0.0 109.18 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.355 0.814 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 . . . . . 0 CA--C 1.51 -0.566 0 CA-C-O 118.542 -0.742 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.16 82.67 0.08 Allowed 'General case' 0 C--N 1.352 0.709 0 CA-C-N 118.373 0.533 . . . . 0.0 110.784 -174.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -72.7 143.87 47.9 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.1 -47.84 1.02 Allowed Glycine 0 C--N 1.355 1.615 0 N-CA-C 108.16 -1.976 . . . . 0.0 108.16 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.3 p -72.47 -41.34 66.15 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.233 1.017 . . . . 0.0 108.264 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -62.06 -41.96 98.7 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 120.036 1.289 . . . . 0.0 109.699 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.63 -56.91 13.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.4 t -50.94 -39.75 55.68 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.359 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -66.11 -45.81 79.84 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.562 -0.733 . . . . 0.0 111.022 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 62.5 -85.49 0.02 OUTLIER 'General case' 0 C--N 1.352 0.681 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -171.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.9 m -148.91 49.11 0.99 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.258 1.39 . . . . 0.0 108.744 175.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 mm -117.87 -70.37 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.927 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.34 24.36 11.08 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.286 176.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -66.94 -39.41 87.29 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 120.52 1.509 . . . . 0.0 108.718 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -67.19 -32.86 74.22 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.365 -0.826 . . . . 0.0 109.951 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -61.95 -44.31 97.03 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.345 0.975 . . . . 0.0 109.468 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.4 mm -68.85 -40.64 81.51 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -54.28 -48.73 70.92 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.311 1.414 . . . . 0.0 108.189 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.46 -56.52 14.53 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -50.68 -51.07 52.78 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 119.279 -0.968 . . . . 0.0 109.041 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.88 -71.4 0.15 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.527 -1.225 . . . . 0.0 111.278 -175.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -59.24 -29.48 67.57 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 121.271 1.85 . . . . 0.0 112.156 -170.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.0 -65.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-N 120.12 1.327 . . . . 0.0 108.468 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 25' ' ' TRP . 52.6 p-10 -66.51 -41.69 88.46 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.589 1.086 . . . . 0.0 111.546 -173.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.435 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 20.6 t90 -61.06 -49.84 75.73 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.385 -175.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.1 mt -76.77 -41.41 44.86 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 119.31 -0.956 . . . . 0.0 111.465 -170.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -57.96 -36.52 72.69 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 120.144 1.338 . . . . 0.0 108.941 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.59 -42.02 68.27 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.877 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -49.04 -49.8 39.45 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 118.811 0.732 . . . . 0.0 109.557 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -70.79 -44.32 66.85 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 119.777 -0.769 . . . . 0.0 109.047 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.66 -30.48 27.94 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-O 118.498 -1.168 . . . . 0.0 112.537 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -56.61 -43.77 80.49 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.309 1.555 . . . . 0.0 109.421 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -64.13 -37.53 87.79 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.507 -0.759 . . . . 0.0 108.99 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -67.61 -40.53 84.71 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-O 117.837 -1.077 . . . . 0.0 110.282 177.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -116.74 44.33 2.06 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 118.917 0.78 . . . . 0.0 112.241 -174.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -161.88 -63.29 0.05 Allowed 'General case' 0 C--N 1.352 0.695 0 CA-C-N 118.99 0.813 . . . . 0.0 109.598 169.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -67.86 -41.02 83.54 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 172.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 73.92 50.02 0.12 Allowed 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -79.59 -51.58 9.1 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 172.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.9 mm -85.1 141.14 14.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.1 t -54.63 163.91 0.84 Allowed 'General case' 0 C--N 1.357 0.918 0 CA-C-N 119.946 1.248 . . . . 0.0 112.786 -173.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 . . . . . 0 C--N 1.353 0.726 0 O-C-N 123.787 0.679 . . . . 0.0 109.943 178.008 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 CA--C 1.509 -0.633 0 CA-C-O 118.434 -0.793 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.98 48.34 1.34 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-O 118.808 -0.615 . . . . 0.0 109.77 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.17 145.48 50.96 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.64 -47.15 1.07 Allowed Glycine 0 C--N 1.354 1.551 0 N-CA-C 108.967 -1.653 . . . . 0.0 108.967 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 t -62.45 -36.17 81.59 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 119.579 1.689 . . . . 0.0 110.55 177.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -70.98 -40.08 72.11 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.3 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.5 mt -75.33 -55.4 11.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.1 m -58.03 -57.64 11.91 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.039 -175.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -160.33 63.61 0.33 Allowed 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.686 -175.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 53.27 -90.92 0.02 OUTLIER 'General case' 0 C--N 1.35 0.596 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 167.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 m -177.68 -53.78 0.01 OUTLIER 'General case' 0 C--N 1.355 0.838 0 CA-C-N 121.132 1.787 . . . . 0.0 111.81 -167.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.3 mt -70.03 -57.82 7.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 119.384 0.993 . . . . 0.0 108.754 -175.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.98 12.84 3.75 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 117.941 -1.028 . . . . 0.0 112.27 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.5 ptm -53.71 -35.69 61.43 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.221 1.373 . . . . 0.0 110.993 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.64 -47.0 77.07 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 119.452 -0.899 . . . . 0.0 108.781 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -59.41 -54.74 43.26 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.371 -0.932 . . . . 0.0 110.052 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.6 mm -70.31 -46.15 72.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 118.174 -0.917 . . . . 0.0 109.833 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -59.49 -50.01 75.59 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 119.914 1.233 . . . . 0.0 108.593 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -53.78 -54.9 31.71 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.369 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -51.09 -46.15 61.72 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.601 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -68.19 -60.47 2.45 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 117.752 -1.118 . . . . 0.0 111.206 -173.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -62.97 -37.76 88.42 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 120.461 1.482 . . . . 0.0 110.56 -175.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.6 -51.07 77.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-N 119.838 1.199 . . . . 0.0 108.223 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.58 -48.64 80.86 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.153 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -55.01 -50.02 70.07 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.944 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.7 mt -64.06 -51.45 64.06 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.477 -171.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -61.75 -36.12 80.08 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 119.811 1.187 . . . . 0.0 109.871 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.13 -23.07 60.44 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.895 -1.05 . . . . 0.0 111.851 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -53.83 -57.11 12.09 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.693 1.133 . . . . 0.0 108.801 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.76 -24.57 66.91 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.194 0.906 . . . . 0.0 111.488 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.28 -27.97 53.86 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 118.011 -1.438 . . . . 0.0 111.736 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.7 pttt -60.95 -34.94 75.52 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.088 1.944 . . . . 0.0 109.698 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -60.67 -55.59 31.45 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -51.95 -42.76 63.13 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 118.355 -0.831 . . . . 0.0 111.016 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -107.23 28.56 7.96 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 118.131 -0.938 . . . . 0.0 113.033 -172.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -159.45 -61.55 0.07 Allowed 'General case' 0 C--N 1.354 0.768 0 CA-C-N 119.73 1.15 . . . . 0.0 110.66 172.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -60.31 3.3 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 105.423 -2.065 . . . . 0.0 105.423 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -66.7 -32.53 73.9 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.619 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -48.69 -37.71 19.37 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 119.877 1.217 . . . . 0.0 110.584 177.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.2 mt -58.97 -57.52 10.93 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.1 t -62.32 -34.11 75.99 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.671 -176.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 . . . . . 0 C--N 1.355 0.847 0 CA-C-N 119.315 0.961 . . . . 0.0 109.076 -179.298 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 118.62 -0.705 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.9 70.21 10.85 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.11 144.88 56.78 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.731 -1.128 . . . . 0.0 108.168 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.11 -38.03 3.25 Favored Glycine 0 C--N 1.356 1.651 0 CA-C-O 117.979 -1.456 . . . . 0.0 111.474 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.6 p -66.32 -39.54 89.33 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 120.162 1.981 . . . . 0.0 108.864 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -62.72 -26.53 68.73 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 120.132 1.333 . . . . 0.0 110.494 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.0 mt -73.1 -55.43 12.77 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.3 t -85.57 -61.26 1.8 Allowed 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.623 0.647 . . . . 0.0 111.223 -173.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.35 -27.93 65.77 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.11 -1.424 . . . . 0.0 111.718 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 72.48 -71.35 0.14 Allowed 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -172.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.9 p -177.06 -58.67 0.01 OUTLIER 'General case' 0 C--N 1.351 0.663 0 CA-C-O 117.643 -1.17 . . . . 0.0 112.319 177.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.2 mt 85.39 -60.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.823 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -174.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -154.14 66.74 0.72 Allowed 'General case' 0 C--N 1.355 0.843 0 CA-C-N 119.523 1.056 . . . . 0.0 110.331 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.2 mtm -149.79 -58.51 0.2 Allowed 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.198 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -56.3 -41.95 76.77 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.682 1.128 . . . . 0.0 110.433 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -63.66 -43.5 96.56 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.521 1.055 . . . . 0.0 108.512 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.4 mm -59.25 -37.37 68.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -66.58 -48.45 69.57 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 119.513 1.052 . . . . 0.0 108.555 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -49.45 -44.28 45.51 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -69.87 -45.66 67.21 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 119.97 -0.692 . . . . 0.0 109.877 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -65.79 -60.77 2.54 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.466 -1.254 . . . . 0.0 111.299 -174.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -62.26 -38.7 90.28 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.819 1.645 . . . . 0.0 110.649 -174.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.66 -55.88 20.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 119.803 1.183 . . . . 0.0 108.312 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.67 -48.32 82.14 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.096 -175.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 17.7 t90 -54.48 -48.0 72.31 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.383 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.51 -50.4 38.18 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.998 -171.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.01 -34.07 72.84 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.866 1.212 . . . . 0.0 109.943 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.61 -28.13 60.76 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.348 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -55.96 -44.57 78.61 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.94 1.245 . . . . 0.0 108.881 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -79.04 -49.75 12.17 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -45.75 -41.4 9.94 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 118.565 -1.131 . . . . 0.0 113.913 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 36' ' ' TRP . 20.3 ptmt -63.99 -41.26 97.55 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.309 1.555 . . . . 0.0 108.704 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.96 -47.32 83.28 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 176.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -62.43 -28.38 69.76 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 117.396 -1.288 . . . . 0.0 112.285 -178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -144.71 51.67 1.25 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-N 119.948 1.249 . . . . 0.0 111.696 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' LYS . 5.4 t90 -155.99 -61.25 0.1 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 172.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -68.44 -50.4 52.93 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 171.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -54.04 -46.01 71.79 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 118.783 -0.627 . . . . 0.0 109.906 176.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -78.4 67.7 4.25 Favored 'General case' 0 C--N 1.355 0.848 0 CA-C-N 118.602 0.637 . . . . 0.0 111.133 -176.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 90.2 mt -126.3 -69.14 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.798 0 N-CA-C 104.385 -2.45 . . . . 0.0 104.385 170.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.2 m -66.18 -51.48 57.34 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 167.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.355 0.805 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 . . . . . 0 CA--C 1.508 -0.652 0 CA-C-O 117.894 -1.051 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.37 -45.55 46.02 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 119.153 0.888 . . . . 0.0 109.402 176.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.53 143.61 57.53 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 117.689 -1.148 . . . . 0.0 108.362 177.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.17 -61.69 4.61 Favored Glycine 0 C--N 1.355 1.603 0 CA-C-N 119.97 1.259 . . . . 0.0 110.571 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.7 p -60.84 -37.87 83.53 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 118.746 1.273 . . . . 0.0 110.083 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -52.84 -34.87 56.09 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.213 1.37 . . . . 0.0 110.253 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.447 ' O ' ' CZ ' ' A' ' 10' ' ' TYR . 90.8 mt -61.49 -55.28 25.49 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.2 t -86.26 -56.23 3.54 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.473 1.033 . . . . 0.0 111.741 -175.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.09 -46.06 79.03 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 118.446 -0.788 . . . . 0.0 111.403 -174.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' CZ ' ' O ' ' A' ' 7' ' ' ILE . 77.9 m-85 73.13 -61.18 0.51 Allowed 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.366 -1.302 . . . . 0.0 111.058 -171.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.7 m -145.74 58.19 1.24 Allowed 'General case' 0 C--N 1.357 0.893 0 CA-C-N 120.991 1.723 . . . . 0.0 111.684 -176.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mt -138.54 -64.93 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.913 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 174.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.24 56.47 1.03 Allowed 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 173.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.3 ttp -164.6 -57.11 0.03 OUTLIER 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.852 -0.594 . . . . 0.0 110.289 -176.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.32 -49.61 71.08 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -56.34 -47.61 78.44 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 174.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.0 mm -54.46 -43.34 63.16 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -175.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -61.76 -60.51 3.54 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 119.577 1.08 . . . . 0.0 109.326 -178.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -59.16 -52.67 64.7 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.079 0.854 . . . . 0.0 109.615 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -48.52 -51.05 29.35 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-O 119.048 -0.501 . . . . 0.0 110.698 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.73 -58.48 3.44 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.717 -1.135 . . . . 0.0 110.919 -172.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -63.14 -40.43 97.55 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.287 1.403 . . . . 0.0 110.388 -174.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.0 t -61.8 -56.69 16.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-N 120.6 1.545 . . . . 0.0 108.063 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -52.56 -46.13 66.69 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.634 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -61.28 -48.57 80.81 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.338 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.3 mt -57.96 -56.62 19.66 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 119.205 0.911 . . . . 0.0 109.012 -176.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 pp -62.27 -35.19 78.23 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.694 -1.146 . . . . 0.0 110.664 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.38 49.25 0.85 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.716 1.144 . . . . 0.0 109.167 176.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -85.36 143.75 28.45 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.51 52.98 12.31 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -95.5 -57.73 1.17 Allowed Glycine 0 C--N 1.354 1.531 0 CA-C-O 118.222 -1.321 . . . . 0.0 109.824 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -32.21 -52.02 0.27 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-N 117.856 0.828 . . . . 0.0 112.841 -177.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -54.97 -57.45 11.63 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 118.969 0.804 . . . . 0.0 109.403 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -63.13 -38.88 92.93 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 117.876 -1.059 . . . . 0.0 111.065 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -99.63 25.61 6.96 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.641 -1.171 . . . . 0.0 112.599 -175.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -161.84 -59.27 0.05 OUTLIER 'General case' 0 C--N 1.356 0.888 0 CA-C-N 120.906 1.684 . . . . 0.0 112.287 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -75.45 -65.78 0.85 Allowed 'General case' 0 C--N 1.356 0.879 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -64.57 -35.39 80.82 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.029 -1.069 . . . . 0.0 109.529 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -41.11 -40.47 1.51 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-N 118.865 0.757 . . . . 0.0 111.413 176.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.64 -58.16 8.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.054 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.8 t -61.79 -40.63 95.9 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.23 1.377 . . . . 0.0 110.84 -177.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--N 1.354 0.791 0 CA-C-N 118.876 0.762 . . . . 0.0 109.471 -178.3 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 . . . . . 0 CA--C 1.507 -0.689 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.765 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.21 -48.82 64.88 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 119.214 0.915 . . . . 0.0 109.716 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -59.19 139.98 56.38 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 117.728 -1.129 . . . . 0.0 108.751 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.39 -63.72 4.37 Favored Glycine 0 C--N 1.355 1.602 0 CA-C-N 119.679 1.127 . . . . 0.0 110.552 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.6 p -61.74 -35.61 78.6 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 118.501 1.151 . . . . 0.0 110.359 -176.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -53.25 -32.8 50.22 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.304 1.411 . . . . 0.0 110.279 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.416 ' O ' ' CZ ' ' A' ' 10' ' ' TYR . 95.1 mt -64.64 -54.52 29.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 t -87.33 -58.7 2.49 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.463 1.029 . . . . 0.0 111.477 -174.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.06 -39.1 89.84 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 118.137 -0.935 . . . . 0.0 111.809 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.416 ' CZ ' ' O ' ' A' ' 7' ' ' ILE . 72.0 m-85 71.79 -75.3 0.08 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.137 -0.935 . . . . 0.0 109.297 -171.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 m -172.97 -54.5 0.02 OUTLIER 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.96 1.255 . . . . 0.0 110.986 -176.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.8 mm 80.02 -62.33 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.887 0 CA-C-O 118.023 -0.989 . . . . 0.0 108.57 -175.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.05 59.5 0.94 Allowed 'General case' 0 C--N 1.356 0.872 0 CA-C-N 119.388 0.995 . . . . 0.0 108.975 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -54.67 -33.89 61.46 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.075 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -56.03 -52.5 64.03 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.337 0.972 . . . . 0.0 108.697 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -61.58 -49.83 75.07 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.14 -177.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.5 mm -63.87 -53.01 49.62 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 C-N-CA 119.552 -0.859 . . . . 0.0 108.993 -173.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -64.85 -53.28 49.21 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.858 -0.591 . . . . 0.0 109.421 -174.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -52.3 -51.22 59.83 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -57.62 -49.26 77.01 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.95 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.55 -62.96 1.17 Allowed 'General case' 0 C--N 1.352 0.697 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.349 -172.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -60.57 -31.01 70.16 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.704 1.138 . . . . 0.0 111.207 -173.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.0 t -60.96 -62.21 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 120.53 1.514 . . . . 0.0 108.441 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -56.39 -45.34 80.65 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.114 0.87 . . . . 0.0 110.663 -177.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -63.13 -58.74 6.22 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 119.399 -0.92 . . . . 0.0 110.903 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.6 mt -56.33 -42.01 77.0 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.284 -168.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 pp -72.08 -36.39 69.5 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.228 0.922 . . . . 0.0 111.068 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.59 -47.64 18.87 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.811 1.187 . . . . 0.0 112.563 -174.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 56.07 49.1 16.29 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -172.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -164.8 -57.33 0.03 OUTLIER 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.048 -0.977 . . . . 0.0 111.274 -177.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.86 -50.27 51.01 Favored Glycine 0 C--N 1.355 1.63 0 CA-C-N 119.905 1.229 . . . . 0.0 111.064 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -59.63 -47.1 86.91 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 118.171 0.986 . . . . 0.0 109.197 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -65.07 -21.06 66.76 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 117.767 -1.111 . . . . 0.0 111.248 -177.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.54 -36.48 33.05 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.264 -1.35 . . . . 0.0 110.071 177.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -129.09 52.12 1.99 Allowed 'General case' 0 C--N 1.359 0.994 0 CA-C-N 119.713 1.142 . . . . 0.0 111.324 -175.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -164.6 -61.79 0.03 OUTLIER 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 173.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -76.81 -46.83 23.43 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 168.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 79.45 41.97 0.08 Allowed 'General case' 0 C--N 1.356 0.85 0 O-C-N 123.489 0.493 . . . . 0.0 110.205 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -66.37 -30.51 70.91 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.508 -1.234 . . . . 0.0 109.77 176.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.8 tp -34.45 -42.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.919 0 CA-C-O 118.198 -0.906 . . . . 0.0 112.194 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.9 m -107.38 -58.21 1.98 Allowed 'General case' 0 C--N 1.356 0.859 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 173.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.355 0.811 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 . . . . . 0 CA--C 1.508 -0.641 0 CA-C-O 118.722 -0.656 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.04 92.85 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 169.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -50.37 149.39 3.07 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.098 -0.953 . . . . 0.0 111.424 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.35 -77.27 0.89 Allowed Glycine 0 C--N 1.356 1.671 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 176.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.6 p -40.76 -45.24 2.39 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.926 -1.035 . . . . 0.0 112.066 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -52.61 -37.92 59.18 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.742 1.155 . . . . 0.0 111.056 -175.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.5 mt -59.08 -50.19 80.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.9 t -59.57 -65.66 0.64 Allowed 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.791 -1.1 . . . . 0.0 108.155 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -151.51 -73.0 0.15 Allowed 'General case' 0 C--N 1.357 0.904 0 CA-C-O 117.355 -1.307 . . . . 0.0 110.743 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -151.55 -68.9 0.17 Allowed 'General case' 0 C--N 1.358 0.976 0 CA-C-N 120.613 1.551 . . . . 0.0 111.006 -177.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.7 p 145.14 -60.66 0.0 OUTLIER 'General case' 0 C--N 1.357 0.92 0 CA-C-N 119.261 0.937 . . . . 0.0 109.172 176.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.9 mm 72.02 -63.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.809 0 CA-C-O 118.767 -0.635 . . . . 0.0 109.693 -173.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.67 3.01 10.48 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 116.669 -1.634 . . . . 0.0 113.279 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -32.81 63.9 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 122.121 2.237 . . . . 0.0 109.075 177.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -60.48 -47.07 87.73 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.122 -0.942 . . . . 0.0 108.51 176.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -61.78 -46.38 89.8 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.339 0.972 . . . . 0.0 109.734 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.9 mm -57.29 -46.69 85.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -178.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -64.73 -47.81 76.91 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -49.05 -55.98 10.41 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 118.582 0.628 . . . . 0.0 109.609 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.77 -46.91 87.53 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.52 -62.76 1.29 Allowed 'General case' 0 C--N 1.351 0.653 0 CA-C-O 116.642 -1.647 . . . . 0.0 111.749 -171.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -58.1 -36.91 73.56 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 121.796 2.089 . . . . 0.0 111.111 -175.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -59.19 -54.27 36.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-N 120.203 1.365 . . . . 0.0 107.786 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -63.4 -39.72 95.27 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 120.574 -0.451 . . . . 0.0 111.265 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.441 ' CE2' ' NE2' ' A' ' 29' ' ' GLN . 89.2 t90 -70.26 -51.21 32.31 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 118.587 -0.721 . . . . 0.0 109.557 -175.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.1 mt -51.66 -56.09 15.63 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.86 -34.56 78.67 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.585 -177.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.11 -1.82 34.34 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 116.133 -1.889 . . . . 0.0 112.573 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.441 ' NE2' ' CE2' ' A' ' 25' ' ' TRP . 31.6 mm-40 -61.01 -44.11 97.89 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 122.314 2.325 . . . . 0.0 109.785 176.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -55.87 -48.92 74.7 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 174.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.52 -34.81 60.44 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.701 176.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -65.66 -47.5 75.32 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.397 1.599 . . . . 0.0 108.733 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -57.22 -43.27 82.68 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -62.23 -38.96 91.21 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.271 -0.972 . . . . 0.0 110.759 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -73.87 -4.86 37.49 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.117 -1.42 . . . . 0.0 113.068 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -142.6 -64.78 0.41 Allowed 'General case' 0 C--N 1.355 0.828 0 CA-C-N 120.947 1.703 . . . . 0.0 111.267 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.75 -54.63 26.35 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.57 1.077 . . . . 0.0 108.743 -178.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -59.37 -47.7 84.44 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 119.238 -0.985 . . . . 0.0 108.984 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -54.41 -26.01 28.11 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.38 -1.295 . . . . 0.0 112.283 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.1 mm -57.88 -53.54 43.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 120.845 1.657 . . . . 0.0 106.946 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.3 m -68.89 -60.99 1.99 Allowed 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? . . . . . 0 CA--C 1.505 -0.78 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 176.67 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 CA--C 1.509 -0.607 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.77 73.65 2.73 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 172.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -62.44 137.87 58.35 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.399 -1.286 . . . . 0.0 108.941 -173.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.44 -41.25 2.28 Favored Glycine 0 C--N 1.357 1.703 0 CA-C-O 118.519 -1.156 . . . . 0.0 110.765 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.8 p -74.67 -56.88 4.32 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.056 1.428 . . . . 0.0 109.448 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -51.16 -34.28 30.63 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 119.752 -0.779 . . . . 0.0 109.745 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.4 mt -66.33 -56.31 14.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 176.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.7 t -65.82 -79.44 0.04 OUTLIER 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.421 -1.276 . . . . 0.0 110.091 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -160.77 44.71 0.19 Allowed 'General case' 0 C--N 1.357 0.892 0 CA-C-N 120.799 1.636 . . . . 0.0 112.416 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 62.09 -60.22 0.12 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 173.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.9 m 87.14 -57.4 0.04 OUTLIER 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.772 1.624 . . . . 0.0 108.905 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.9 mt 71.37 -71.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 119.059 0.845 . . . . 0.0 110.633 172.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.62 -8.54 35.45 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.68 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -41.67 -31.33 0.28 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.693 1.588 . . . . 0.0 113.323 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -49.58 -44.29 46.8 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 120.652 1.569 . . . . 0.0 110.325 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -60.04 -46.37 89.73 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 175.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.7 mm -58.64 -32.31 45.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-O 118.21 -0.9 . . . . 0.0 109.044 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -64.33 -46.65 82.58 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 120.2 1.364 . . . . 0.0 107.607 177.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -56.97 -54.03 51.36 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.698 -0.801 . . . . 0.0 108.988 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -50.28 -44.51 53.88 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 120.221 -0.592 . . . . 0.0 109.652 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -67.63 -65.45 0.69 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.27 -1.348 . . . . 0.0 110.64 -175.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -61.92 -38.85 89.98 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 121.484 1.947 . . . . 0.0 110.464 -173.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.68 -56.26 18.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 CA-C-N 119.991 1.269 . . . . 0.0 108.905 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -67.21 -49.97 62.6 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.36 -174.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.8 t90 -49.38 -47.42 47.66 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 118.415 -0.802 . . . . 0.0 112.587 -177.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.8 mt -68.67 -56.12 9.2 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.432 -0.907 . . . . 0.0 109.169 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 pp -61.57 -26.37 67.91 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.662 -1.161 . . . . 0.0 110.924 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.96 -42.95 46.93 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.94 1.245 . . . . 0.0 109.223 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -58.0 -57.27 13.53 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -62.32 -44.12 97.24 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.33 -50.86 5.47 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-O 117.904 -1.498 . . . . 0.0 113.367 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 36' ' ' TRP . 20.8 pttp -67.47 -47.69 69.37 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.073 1.936 . . . . 0.0 107.576 -179.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -45.06 -45.57 11.0 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 120.729 1.604 . . . . 0.0 109.367 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -62.67 -52.22 64.16 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.702 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -103.01 50.64 0.81 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-N 118.649 0.659 . . . . 0.0 111.069 -177.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' LYS . 30.1 t90 -164.66 -75.03 0.03 OUTLIER 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.466 -1.255 . . . . 0.0 108.505 174.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -56.94 -51.15 70.3 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 120.58 1.536 . . . . 0.0 108.43 -175.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -61.41 -43.04 99.57 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -60.56 -41.27 94.24 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.83 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.6 mm -62.9 -49.3 84.15 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 m -50.97 -45.01 60.78 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -176.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 . . . . . 0 C--N 1.354 0.782 0 N-CA-C 106.684 -1.598 . . . . 0.0 106.684 170.846 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 CA--C 1.511 -0.525 0 CA-C-O 118.647 -0.692 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.09 69.45 4.44 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -61.64 147.55 45.44 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.267 -177.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.83 -45.44 1.71 Allowed Glycine 0 C--N 1.357 1.704 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.9 p -65.4 -52.2 55.12 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.671 1.235 . . . . 0.0 109.258 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -56.35 -30.74 63.03 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.84 1.2 . . . . 0.0 110.484 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 73.2 mt -69.01 -55.69 14.62 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 177.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.5 t -89.52 -56.79 3.11 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 118.573 0.624 . . . . 0.0 112.531 -171.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -33.34 69.2 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-O 117.958 -1.02 . . . . 0.0 111.99 -176.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 79.34 -69.79 0.11 Allowed 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.484 -1.246 . . . . 0.0 112.658 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -161.65 -57.34 0.05 OUTLIER 'General case' 0 C--N 1.356 0.862 0 CA-C-N 120.866 1.666 . . . . 0.0 114.951 -169.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.3 mt -62.93 -64.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-N 119.726 1.148 . . . . 0.0 110.319 -166.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.18 -56.21 20.98 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.366 -0.934 . . . . 0.0 108.941 -175.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.9 ptm -48.66 -36.94 17.07 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-O 117.733 -1.127 . . . . 0.0 112.484 -177.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -67.75 -53.17 29.4 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 120.363 1.438 . . . . 0.0 108.442 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -52.07 -48.19 64.78 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 118.997 0.817 . . . . 0.0 110.377 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.1 mm -73.11 -44.38 56.4 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.388 -172.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -63.96 -53.3 52.44 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 119.802 1.183 . . . . 0.0 108.044 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -49.18 -57.69 6.28 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -53.18 -46.34 68.92 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 119.165 -0.445 . . . . 0.0 111.467 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -76.5 -56.75 4.34 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 117.835 -1.079 . . . . 0.0 111.315 -169.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -65.67 -37.93 87.86 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 120.426 1.466 . . . . 0.0 109.574 -175.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.1 t -54.53 -47.36 71.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 120.513 1.506 . . . . 0.0 107.514 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -62.51 -38.28 89.32 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.45 -0.786 . . . . 0.0 111.73 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -69.26 -47.03 65.83 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.142 1.337 . . . . 0.0 110.904 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -55.25 -52.93 61.83 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.52 -36.49 78.51 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.98 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.82 24.99 3.82 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.539 1.063 . . . . 0.0 112.45 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 30' ' ' LYS . 19.2 tt0 -78.57 -34.05 47.25 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.167 -1.396 . . . . 0.0 109.673 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -24.0 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.358 0.937 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -179.141 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.42 19.69 1.88 Allowed Glycine 0 C--N 1.354 1.575 0 CA-C-O 116.146 -2.474 . . . . 0.0 114.136 178.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 54.94 77.57 0.21 Allowed 'General case' 0 C--N 1.36 1.04 0 CA-C-N 121.389 2.594 . . . . 0.0 107.227 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -134.71 -70.79 0.49 Allowed 'General case' 0 C--N 1.359 1.003 0 CA-C-O 118.396 -0.812 . . . . 0.0 111.309 -177.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -65.99 -21.93 66.43 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 120.17 1.35 . . . . 0.0 111.559 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -116.55 49.16 1.18 Allowed 'General case' 0 C--N 1.355 0.835 0 CA-C-N 120.036 1.289 . . . . 0.0 107.833 175.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -163.69 -59.04 0.04 OUTLIER 'General case' 0 C--N 1.357 0.922 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.932 -177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.62 -44.2 62.25 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 173.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -38.11 -42.18 0.64 Allowed 'General case' 0 C--N 1.355 0.82 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.305 172.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -38.18 -41.35 0.59 Allowed 'General case' 0 C--N 1.353 0.758 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.27 -64.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 -174.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.9 t -58.95 -35.77 73.7 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.272 0.942 . . . . 0.0 110.184 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 . . . . . 0 C--N 1.354 0.779 0 CA-C-N 118.549 0.613 . . . . 0.0 110.894 179.798 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.56 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -62.79 -59.84 4.31 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.198 -0.906 . . . . 0.0 109.435 -175.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -58.35 -42.22 86.43 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 120.121 1.328 . . . . 0.0 111.043 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -67.31 -57.61 6.33 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.169 0.895 . . . . 0.0 109.38 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 mm -61.57 -37.78 78.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.143 -175.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -64.45 -50.0 69.24 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -53.49 -57.93 8.94 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -48.1 -51.58 23.99 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 118.44 0.564 . . . . 0.0 110.568 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -67.47 -63.64 1.02 Allowed 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 117.537 -1.221 . . . . 0.0 110.73 -170.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -59.66 -37.97 80.18 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 120.6 1.545 . . . . 0.0 110.244 -174.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.72 -52.98 53.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 CA-C-N 120.205 1.366 . . . . 0.0 108.374 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -55.97 -50.36 71.03 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.659 -0.816 . . . . 0.0 110.043 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.3 t90 -55.07 -44.79 75.14 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-O 118.413 -0.803 . . . . 0.0 111.622 -176.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.9 mt -69.02 -53.33 21.09 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 118.952 0.796 . . . . 0.0 109.808 -174.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 pp -61.66 -37.03 82.54 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.656 1.116 . . . . 0.0 109.875 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.66 81.22 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.506 -0.759 . . . . 0.0 110.331 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -50.27 -43.18 53.22 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 118.778 0.717 . . . . 0.0 109.299 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -75.26 -58.44 3.28 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.42 -53.11 5.1 Favored Glycine 0 C--N 1.353 1.506 0 CA-C-O 119.117 -0.824 . . . . 0.0 113.925 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt . . . . . 0 C--N 1.351 0.668 0 CA-C-O 117.829 -1.081 . . . . 0.0 111.058 -177.486 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.506 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.6 ttp -165.34 -61.18 0.03 OUTLIER 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -177.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.71 -44.48 73.8 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.22 -43.35 82.75 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.9 mm -68.03 -53.59 28.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -175.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -56.04 -46.36 78.9 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -47.31 -57.97 4.64 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.78 -0.628 . . . . 0.0 110.611 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -73.39 -34.93 65.8 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.399 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.56 -60.82 3.2 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 117.702 -1.142 . . . . 0.0 111.084 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -62.06 -36.27 81.14 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-N 120.508 1.504 . . . . 0.0 110.481 -174.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.4 t -58.71 -52.84 55.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -57.81 -51.77 68.2 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.76 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -55.15 -46.3 75.7 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 118.616 0.644 . . . . 0.0 111.325 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.8 mt -68.35 -51.01 49.2 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-O 118.44 -0.79 . . . . 0.0 110.016 -172.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 pp -62.21 -34.06 75.74 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 119.89 1.223 . . . . 0.0 109.272 177.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.63 -32.9 73.91 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.343 0.974 . . . . 0.0 110.605 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -52.95 -43.15 66.11 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.469 1.032 . . . . 0.0 109.025 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.41 -46.25 33.97 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 172.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.03 -37.65 16.62 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-O 118.433 -1.204 . . . . 0.0 114.072 -175.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt . . . . . 0 C--N 1.353 0.721 0 CA-C-N 119.681 1.74 . . . . 0.0 109.085 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.397 -1.287 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.7 mtm -51.13 -50.94 57.9 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 120.872 1.669 . . . . 0.0 108.383 174.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -59.15 -59.16 5.91 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.317 -0.849 . . . . 0.0 111.527 -173.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -66.06 -39.49 90.14 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.424 1.011 . . . . 0.0 110.934 -172.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.6 mm -72.79 -45.51 56.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-N 119.255 0.934 . . . . 0.0 108.59 -174.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -61.25 -48.21 82.52 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -49.61 -51.77 35.12 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.245 175.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -54.61 -46.81 73.89 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.178 0.899 . . . . 0.0 109.27 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -67.22 -60.22 2.78 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.233 -172.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -69.86 -36.99 75.98 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.528 -1.225 . . . . 0.0 111.505 -173.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.88 -52.47 60.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 121.244 1.838 . . . . 0.0 108.191 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -58.13 -47.74 82.38 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.316 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -60.68 -48.02 83.65 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 118.458 -0.782 . . . . 0.0 111.109 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.7 mt -56.86 -55.15 38.17 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 118.867 0.758 . . . . 0.0 109.386 -175.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.79 -32.02 73.1 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.818 -1.087 . . . . 0.0 110.377 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.49 35.25 1.84 Allowed 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.302 0.956 . . . . 0.0 110.782 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -86.01 -57.16 3.14 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 tptp -74.73 -40.72 61.11 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 174.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.91 -50.05 27.7 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-O 118.536 -1.147 . . . . 0.0 112.026 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.0 pttt . . . . . 0 C--N 1.353 0.757 0 CA-C-N 118.89 1.345 . . . . 0.0 109.579 -179.309 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.533 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.413 ' SD ' ' C ' ' A' ' 14' ' ' MET . 13.1 tmm? -147.98 -65.15 0.25 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-O 118.183 -0.913 . . . . 0.0 108.946 -176.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.69 -43.82 95.5 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 172.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.55 -47.67 84.46 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.241 178.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 mm -60.31 -50.9 78.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -56.5 -42.02 77.65 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 118.948 -0.548 . . . . 0.0 109.686 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -57.52 -54.65 44.39 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -60.8 -38.53 85.67 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -178.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -60.18 -60.92 3.05 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.477 -1.249 . . . . 0.0 110.083 -176.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -67.78 -36.16 79.97 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.343 1.429 . . . . 0.0 111.24 -174.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.28 -59.28 4.33 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 120.944 1.702 . . . . 0.0 108.258 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -59.59 -45.1 92.89 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.208 -176.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -63.3 -55.61 23.26 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 117.698 -1.144 . . . . 0.0 110.029 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.5 mt -45.52 -61.18 1.79 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.567 1.076 . . . . 0.0 110.751 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.56 -34.45 76.97 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.184 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.61 -25.74 64.1 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.035 -1.459 . . . . 0.0 111.7 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -58.88 -31.25 68.4 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 121.049 1.75 . . . . 0.0 111.163 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -64.88 -52.17 58.0 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 174.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -50.81 -36.02 32.35 Favored Glycine 0 C--N 1.354 1.528 0 CA-C-O 118.566 -1.13 . . . . 0.0 111.797 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tppm? . . . . . 0 C--N 1.353 0.755 0 CA-C-N 118.774 1.287 . . . . 0.0 107.564 179.34 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.59 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 38.3 mmt -67.0 -35.94 81.07 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 117.706 -1.14 . . . . 0.0 111.577 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -60.62 -44.0 96.84 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 120.694 1.588 . . . . 0.0 108.659 177.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.7 -49.21 76.0 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.024 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.4 mm -59.18 -49.06 84.73 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -54.11 -44.55 71.37 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.893 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -55.06 -57.6 11.07 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.432 -0.907 . . . . 0.0 109.279 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -56.82 -40.03 75.26 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.568 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -61.99 -62.76 1.56 Allowed 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.553 -1.213 . . . . 0.0 110.38 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -66.16 -37.37 85.49 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 120.768 1.622 . . . . 0.0 111.093 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.4 t -58.18 -58.96 4.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 CA-C-N 120.164 1.347 . . . . 0.0 108.059 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -66.91 -49.34 65.86 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.731 -174.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -52.2 -49.64 63.5 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 118.852 0.751 . . . . 0.0 111.636 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.14 -51.95 58.14 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 119.503 -0.879 . . . . 0.0 109.897 -171.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -61.21 -34.73 75.58 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.065 1.302 . . . . 0.0 110.152 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.04 -17.74 60.44 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.699 -1.143 . . . . 0.0 111.913 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -56.98 -58.19 9.26 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.239 1.382 . . . . 0.0 108.807 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -24.21 67.38 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.226 0.921 . . . . 0.0 110.032 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -41.78 -43.82 4.24 Favored Glycine 0 C--N 1.355 1.622 0 CA-C-O 117.79 -1.561 . . . . 0.0 112.251 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt . . . . . 0 C--N 1.355 0.835 0 CA-C-N 119.821 1.81 . . . . 0.0 108.973 179.406 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.609 0 CA-C-O 118.229 -0.891 . . . . 0.0 109.147 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.41 ' SD ' ' C ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -52.94 -36.91 60.44 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.211 0.914 . . . . 0.0 110.286 -176.32 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.5 -44.76 89.92 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.358 0.981 . . . . 0.0 110.126 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.96 -43.11 79.77 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.706 -177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -63.6 -47.18 92.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -59.45 -51.73 68.65 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -44.89 -49.94 10.68 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 118.411 0.551 . . . . 0.0 110.749 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -75.4 -44.15 46.25 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.051 -177.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.28 -58.57 5.61 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 117.423 -1.275 . . . . 0.0 111.617 -172.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -57.41 -38.16 73.88 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 121.191 1.814 . . . . 0.0 110.086 -177.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.6 t -56.76 -49.46 78.34 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 CA-C-N 119.112 0.869 . . . . 0.0 109.392 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -59.86 -46.53 88.98 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.738 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -61.37 -52.92 62.6 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.531 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.9 mt -55.74 -38.84 70.31 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 117.991 -1.004 . . . . 0.0 111.71 -172.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 pp -80.36 -35.57 35.25 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.282 0.946 . . . . 0.0 111.25 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.6 -51.81 8.8 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 119.639 1.108 . . . . 0.0 111.886 -172.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 65.5 -124.63 0.36 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-O 115.932 -1.985 . . . . 0.0 109.156 173.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -47.61 -40.14 18.65 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 122.737 2.517 . . . . 0.0 109.107 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.26 -45.57 35.05 Favored Glycine 0 C--N 1.351 1.373 0 C-N-CA 119.624 -1.275 . . . . 0.0 111.724 177.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? . . . . . 0 C--N 1.354 0.775 0 CA-C-N 118.902 1.351 . . . . 0.0 108.925 -179.838 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.493 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -55.57 -38.61 69.59 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 118.607 -0.711 . . . . 0.0 110.846 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.99 -53.02 61.45 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.417 -0.913 . . . . 0.0 108.948 -177.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -65.54 -49.56 68.46 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.458 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.4 mm -65.25 -46.43 90.74 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 C-N-CA 119.709 -0.797 . . . . 0.0 108.869 -173.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -64.06 -52.04 61.23 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.36 -176.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -56.9 -48.9 77.11 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.518 1.054 . . . . 0.0 111.065 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.93 -35.73 82.11 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 118.886 -1.126 . . . . 0.0 108.97 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -64.88 -63.11 1.2 Allowed 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.907 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -69.16 -34.58 75.2 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 120.02 1.282 . . . . 0.0 111.862 -170.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.6 t -65.36 -51.63 61.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -56.51 -47.45 79.31 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 119.457 -0.897 . . . . 0.0 109.977 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -54.09 -46.5 72.08 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.791 -176.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.3 mt -71.21 -52.09 21.05 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.559 -0.857 . . . . 0.0 109.698 -173.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -59.46 -30.84 68.8 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.988 1.267 . . . . 0.0 110.541 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.63 -40.29 66.55 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.4 1.0 . . . . 0.0 110.202 177.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -50.16 -58.3 5.87 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 118.825 -0.607 . . . . 0.0 109.506 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.81 -42.0 77.89 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 176.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -35.74 -43.73 0.62 Allowed Glycine 0 C--N 1.354 1.555 0 CA-C-O 117.766 -1.575 . . . . 0.0 113.874 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt . . . . . 0 C--N 1.355 0.843 0 CA-C-N 120.226 2.013 . . . . 0.0 108.121 -179.126 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -66.94 -39.41 87.29 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 120.52 1.509 . . . . 0.0 108.718 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -67.19 -32.86 74.22 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.365 -0.826 . . . . 0.0 109.951 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -61.95 -44.31 97.03 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.345 0.975 . . . . 0.0 109.468 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.4 mm -68.85 -40.64 81.51 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -54.28 -48.73 70.92 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.311 1.414 . . . . 0.0 108.189 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.46 -56.52 14.53 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -50.68 -51.07 52.78 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 119.279 -0.968 . . . . 0.0 109.041 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.88 -71.4 0.15 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.527 -1.225 . . . . 0.0 111.278 -175.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -59.24 -29.48 67.57 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 121.271 1.85 . . . . 0.0 112.156 -170.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.0 -65.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-N 120.12 1.327 . . . . 0.0 108.468 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 25' ' ' TRP . 52.6 p-10 -66.51 -41.69 88.46 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.589 1.086 . . . . 0.0 111.546 -173.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.435 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 20.6 t90 -61.06 -49.84 75.73 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.385 -175.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.1 mt -76.77 -41.41 44.86 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 119.31 -0.956 . . . . 0.0 111.465 -170.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -57.96 -36.52 72.69 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 120.144 1.338 . . . . 0.0 108.941 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.59 -42.02 68.27 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.877 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -49.04 -49.8 39.45 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 118.811 0.732 . . . . 0.0 109.557 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -70.79 -44.32 66.85 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 119.777 -0.769 . . . . 0.0 109.047 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.66 -30.48 27.94 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-O 118.498 -1.168 . . . . 0.0 112.537 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt . . . . . 0 C--N 1.353 0.741 0 CA-C-N 119.309 1.555 . . . . 0.0 109.421 177.461 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.396 0 CA-C-O 117.941 -1.028 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.5 ptm -53.71 -35.69 61.43 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.221 1.373 . . . . 0.0 110.993 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.64 -47.0 77.07 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 119.452 -0.899 . . . . 0.0 108.781 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -59.41 -54.74 43.26 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.371 -0.932 . . . . 0.0 110.052 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.6 mm -70.31 -46.15 72.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 118.174 -0.917 . . . . 0.0 109.833 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -59.49 -50.01 75.59 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 119.914 1.233 . . . . 0.0 108.593 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -53.78 -54.9 31.71 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.369 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -51.09 -46.15 61.72 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.601 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -68.19 -60.47 2.45 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 117.752 -1.118 . . . . 0.0 111.206 -173.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -62.97 -37.76 88.42 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 120.461 1.482 . . . . 0.0 110.56 -175.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.6 -51.07 77.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-N 119.838 1.199 . . . . 0.0 108.223 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.58 -48.64 80.86 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.153 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -55.01 -50.02 70.07 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.944 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.7 mt -64.06 -51.45 64.06 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.477 -171.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -61.75 -36.12 80.08 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 119.811 1.187 . . . . 0.0 109.871 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.13 -23.07 60.44 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.895 -1.05 . . . . 0.0 111.851 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -53.83 -57.11 12.09 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.693 1.133 . . . . 0.0 108.801 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.76 -24.57 66.91 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.194 0.906 . . . . 0.0 111.488 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.28 -27.97 53.86 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 118.011 -1.438 . . . . 0.0 111.736 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.7 pttt . . . . . 0 C--N 1.355 0.829 0 CA-C-N 120.088 1.944 . . . . 0.0 109.698 178.643 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.43 0 CA-C-O 119.452 -0.309 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.2 mtm -149.79 -58.51 0.2 Allowed 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.198 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -56.3 -41.95 76.77 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.682 1.128 . . . . 0.0 110.433 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -63.66 -43.5 96.56 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.521 1.055 . . . . 0.0 108.512 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.4 mm -59.25 -37.37 68.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -66.58 -48.45 69.57 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 119.513 1.052 . . . . 0.0 108.555 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -49.45 -44.28 45.51 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -69.87 -45.66 67.21 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 119.97 -0.692 . . . . 0.0 109.877 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -65.79 -60.77 2.54 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.466 -1.254 . . . . 0.0 111.299 -174.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -62.26 -38.7 90.28 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.819 1.645 . . . . 0.0 110.649 -174.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.66 -55.88 20.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 119.803 1.183 . . . . 0.0 108.312 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.67 -48.32 82.14 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.096 -175.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 17.7 t90 -54.48 -48.0 72.31 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.383 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.51 -50.4 38.18 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.998 -171.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.01 -34.07 72.84 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.866 1.212 . . . . 0.0 109.943 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.61 -28.13 60.76 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.348 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -55.96 -44.57 78.61 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.94 1.245 . . . . 0.0 108.881 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -79.04 -49.75 12.17 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -45.75 -41.4 9.94 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 118.565 -1.131 . . . . 0.0 113.913 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt . . . . . 0 C--N 1.352 0.677 0 CA-C-N 119.309 1.555 . . . . 0.0 108.704 -179.809 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.543 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.3 ttp -164.6 -57.11 0.03 OUTLIER 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.852 -0.594 . . . . 0.0 110.289 -176.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.32 -49.61 71.08 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -56.34 -47.61 78.44 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 174.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.0 mm -54.46 -43.34 63.16 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -175.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -61.76 -60.51 3.54 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 119.577 1.08 . . . . 0.0 109.326 -178.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -59.16 -52.67 64.7 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.079 0.854 . . . . 0.0 109.615 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -48.52 -51.05 29.35 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-O 119.048 -0.501 . . . . 0.0 110.698 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.73 -58.48 3.44 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.717 -1.135 . . . . 0.0 110.919 -172.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -63.14 -40.43 97.55 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.287 1.403 . . . . 0.0 110.388 -174.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.0 t -61.8 -56.69 16.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-N 120.6 1.545 . . . . 0.0 108.063 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -52.56 -46.13 66.69 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.634 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -61.28 -48.57 80.81 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.338 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.3 mt -57.96 -56.62 19.66 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 119.205 0.911 . . . . 0.0 109.012 -176.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 pp -62.27 -35.19 78.23 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.694 -1.146 . . . . 0.0 110.664 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.38 49.25 0.85 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.716 1.144 . . . . 0.0 109.167 176.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -85.36 143.75 28.45 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.51 52.98 12.31 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -95.5 -57.73 1.17 Allowed Glycine 0 C--N 1.354 1.531 0 CA-C-O 118.222 -1.321 . . . . 0.0 109.824 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.356 0.877 0 CA-C-N 117.856 0.828 . . . . 0.0 112.841 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.522 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -54.67 -33.89 61.46 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.075 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -56.03 -52.5 64.03 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.337 0.972 . . . . 0.0 108.697 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -61.58 -49.83 75.07 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.14 -177.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.5 mm -63.87 -53.01 49.62 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 C-N-CA 119.552 -0.859 . . . . 0.0 108.993 -173.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -64.85 -53.28 49.21 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.858 -0.591 . . . . 0.0 109.421 -174.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -52.3 -51.22 59.83 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -57.62 -49.26 77.01 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.95 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.55 -62.96 1.17 Allowed 'General case' 0 C--N 1.352 0.697 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.349 -172.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -60.57 -31.01 70.16 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.704 1.138 . . . . 0.0 111.207 -173.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.0 t -60.96 -62.21 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 120.53 1.514 . . . . 0.0 108.441 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -56.39 -45.34 80.65 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.114 0.87 . . . . 0.0 110.663 -177.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -63.13 -58.74 6.22 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 119.399 -0.92 . . . . 0.0 110.903 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.6 mt -56.33 -42.01 77.0 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.284 -168.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 pp -72.08 -36.39 69.5 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.228 0.922 . . . . 0.0 111.068 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.59 -47.64 18.87 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.811 1.187 . . . . 0.0 112.563 -174.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 56.07 49.1 16.29 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -172.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -164.8 -57.33 0.03 OUTLIER 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.048 -0.977 . . . . 0.0 111.274 -177.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.86 -50.27 51.01 Favored Glycine 0 C--N 1.355 1.63 0 CA-C-N 119.905 1.229 . . . . 0.0 111.064 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.0 tttp . . . . . 0 C--N 1.352 0.716 0 CA-C-N 118.171 0.986 . . . . 0.0 109.197 177.542 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.459 0 CA-C-O 116.669 -1.634 . . . . 0.0 113.279 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -32.81 63.9 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 122.121 2.237 . . . . 0.0 109.075 177.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -60.48 -47.07 87.73 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.122 -0.942 . . . . 0.0 108.51 176.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -61.78 -46.38 89.8 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.339 0.972 . . . . 0.0 109.734 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.9 mm -57.29 -46.69 85.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -178.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -64.73 -47.81 76.91 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -49.05 -55.98 10.41 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 118.582 0.628 . . . . 0.0 109.609 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.77 -46.91 87.53 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.52 -62.76 1.29 Allowed 'General case' 0 C--N 1.351 0.653 0 CA-C-O 116.642 -1.647 . . . . 0.0 111.749 -171.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -58.1 -36.91 73.56 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 121.796 2.089 . . . . 0.0 111.111 -175.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -59.19 -54.27 36.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-N 120.203 1.365 . . . . 0.0 107.786 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -63.4 -39.72 95.27 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 120.574 -0.451 . . . . 0.0 111.265 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -70.26 -51.21 32.31 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 118.587 -0.721 . . . . 0.0 109.557 -175.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.1 mt -51.66 -56.09 15.63 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.86 -34.56 78.67 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.585 -177.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.11 -1.82 34.34 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 116.133 -1.889 . . . . 0.0 112.573 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -61.01 -44.11 97.89 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 122.314 2.325 . . . . 0.0 109.785 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -55.87 -48.92 74.7 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 174.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.52 -34.81 60.44 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.701 176.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.1 tttm . . . . . 0 C--N 1.352 0.707 0 CA-C-N 119.397 1.599 . . . . 0.0 108.733 -178.793 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.54 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -41.67 -31.33 0.28 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.693 1.588 . . . . 0.0 113.323 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -49.58 -44.29 46.8 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 120.652 1.569 . . . . 0.0 110.325 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -60.04 -46.37 89.73 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 175.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.7 mm -58.64 -32.31 45.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-O 118.21 -0.9 . . . . 0.0 109.044 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -64.33 -46.65 82.58 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 120.2 1.364 . . . . 0.0 107.607 177.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -56.97 -54.03 51.36 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.698 -0.801 . . . . 0.0 108.988 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -50.28 -44.51 53.88 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 120.221 -0.592 . . . . 0.0 109.652 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -67.63 -65.45 0.69 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.27 -1.348 . . . . 0.0 110.64 -175.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -61.92 -38.85 89.98 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 121.484 1.947 . . . . 0.0 110.464 -173.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.68 -56.26 18.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 CA-C-N 119.991 1.269 . . . . 0.0 108.905 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -67.21 -49.97 62.6 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.36 -174.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.8 t90 -49.38 -47.42 47.66 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 118.415 -0.802 . . . . 0.0 112.587 -177.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.8 mt -68.67 -56.12 9.2 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.432 -0.907 . . . . 0.0 109.169 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 pp -61.57 -26.37 67.91 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.662 -1.161 . . . . 0.0 110.924 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.96 -42.95 46.93 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.94 1.245 . . . . 0.0 109.223 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -58.0 -57.27 13.53 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -62.32 -44.12 97.24 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.33 -50.86 5.47 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-O 117.904 -1.498 . . . . 0.0 113.367 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 pttp . . . . . 0 C--N 1.355 0.811 0 CA-C-N 120.073 1.936 . . . . 0.0 107.576 -179.104 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.578 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.9 ptm -48.66 -36.94 17.07 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-O 117.733 -1.127 . . . . 0.0 112.484 -177.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -67.75 -53.17 29.4 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 120.363 1.438 . . . . 0.0 108.442 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -52.07 -48.19 64.78 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 118.997 0.817 . . . . 0.0 110.377 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.1 mm -73.11 -44.38 56.4 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.388 -172.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -63.96 -53.3 52.44 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 119.802 1.183 . . . . 0.0 108.044 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -49.18 -57.69 6.28 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -53.18 -46.34 68.92 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 119.165 -0.445 . . . . 0.0 111.467 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -76.5 -56.75 4.34 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 117.835 -1.079 . . . . 0.0 111.315 -169.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -65.67 -37.93 87.86 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 120.426 1.466 . . . . 0.0 109.574 -175.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.1 t -54.53 -47.36 71.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 120.513 1.506 . . . . 0.0 107.514 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -62.51 -38.28 89.32 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.45 -0.786 . . . . 0.0 111.73 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -69.26 -47.03 65.83 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.142 1.337 . . . . 0.0 110.904 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -55.25 -52.93 61.83 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.52 -36.49 78.51 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.98 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.82 24.99 3.82 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.539 1.063 . . . . 0.0 112.45 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 30' ' ' LYS . 19.2 tt0 -78.57 -34.05 47.25 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.167 -1.396 . . . . 0.0 109.673 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -24.0 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.358 0.937 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -179.141 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.42 19.69 1.88 Allowed Glycine 0 C--N 1.354 1.575 0 CA-C-O 116.146 -2.474 . . . . 0.0 114.136 178.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? . . . . . 0 C--N 1.36 1.04 0 CA-C-N 121.389 2.594 . . . . 0.0 107.227 179.372 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 CA--C 1.51 -0.594 0 CA-C-O 118.579 -0.724 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.72 50.64 1.4 Allowed 'General case' 0 C--N 1.355 0.817 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 173.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.6 148.31 51.58 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 117.932 -1.032 . . . . 0.0 108.22 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.56 -45.79 1.26 Allowed Glycine 0 C--N 1.355 1.622 0 N-CA-C 107.429 -2.268 . . . . 0.0 107.429 -171.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.3 p -99.82 28.76 4.54 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-O 118.087 -0.958 . . . . 0.0 110.481 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -88.43 63.53 7.11 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.3 mt -95.68 -56.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 N-CA-C 107.67 -1.234 . . . . 0.0 107.67 -175.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.0 m -65.3 -51.14 62.62 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 10.2 t70 -165.64 -74.71 0.03 OUTLIER 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.248 -0.882 . . . . 0.0 109.634 -178.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.429 ' CG ' ' O ' ' A' ' 9' ' ' ASP . 56.0 m-85 -169.15 -56.61 0.02 OUTLIER 'General case' 0 C--N 1.354 0.777 0 CA-C-N 119.088 0.858 . . . . 0.0 109.487 -176.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -146.08 55.95 1.18 Allowed 'General case' 0 C--N 1.355 0.83 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.8 mt -119.81 -63.38 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.899 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.98 -40.31 65.38 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 174.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -62.79 -59.84 4.31 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.198 -0.906 . . . . 0.0 109.435 -175.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -58.35 -42.22 86.43 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 120.121 1.328 . . . . 0.0 111.043 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -67.31 -57.61 6.33 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.169 0.895 . . . . 0.0 109.38 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 mm -61.57 -37.78 78.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.143 -175.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -64.45 -50.0 69.24 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -53.49 -57.93 8.94 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -48.1 -51.58 23.99 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 118.44 0.564 . . . . 0.0 110.568 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -67.47 -63.64 1.02 Allowed 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 117.537 -1.221 . . . . 0.0 110.73 -170.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -59.66 -37.97 80.18 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 120.6 1.545 . . . . 0.0 110.244 -174.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.72 -52.98 53.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 CA-C-N 120.205 1.366 . . . . 0.0 108.374 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -55.97 -50.36 71.03 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.659 -0.816 . . . . 0.0 110.043 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.3 t90 -55.07 -44.79 75.14 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-O 118.413 -0.803 . . . . 0.0 111.622 -176.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.9 mt -69.02 -53.33 21.09 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 118.952 0.796 . . . . 0.0 109.808 -174.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 pp -61.66 -37.03 82.54 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.656 1.116 . . . . 0.0 109.875 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.66 81.22 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.506 -0.759 . . . . 0.0 110.331 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -50.27 -43.18 53.22 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 118.778 0.717 . . . . 0.0 109.299 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -75.26 -58.44 3.28 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.42 -53.11 5.1 Favored Glycine 0 C--N 1.353 1.506 0 CA-C-O 119.117 -0.824 . . . . 0.0 113.925 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -53.11 -34.9 58.74 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 117.829 -1.081 . . . . 0.0 111.058 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -46.41 -46.09 18.41 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.788 1.176 . . . . 0.0 109.379 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -62.61 -54.69 35.88 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 118.208 -0.901 . . . . 0.0 108.728 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -92.88 49.9 1.5 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-N 118.937 0.79 . . . . 0.0 110.984 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -162.79 -60.95 0.04 OUTLIER 'General case' 0 C--N 1.354 0.803 0 CA-C-O 118.371 -0.824 . . . . 0.0 108.841 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -81.25 -53.52 6.28 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 176.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -104.76 44.25 1.04 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-N 118.612 0.642 . . . . 0.0 109.758 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -72.16 -38.11 69.22 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.0 tt -45.36 -28.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.879 0 CA-C-O 117.981 -1.009 . . . . 0.0 111.892 173.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.288 9.7 t 55.63 64.99 1.58 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.479 1.036 . . . . 0.0 109.961 178.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--N 1.356 0.859 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.445 -178.925 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 CA--C 1.505 -0.77 0 CA-C-O 117.87 -1.062 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.31 -51.25 70.57 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -54.76 143.36 25.65 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.922 -1.037 . . . . 0.0 109.385 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.24 -67.32 3.64 Favored Glycine 0 C--N 1.356 1.643 0 CA-C-N 119.44 1.018 . . . . 0.0 110.76 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.3 p -60.32 -37.97 82.26 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 118.395 1.098 . . . . 0.0 110.938 -174.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -52.51 -38.07 58.77 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.187 0.903 . . . . 0.0 110.775 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.5 -52.52 25.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -173.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.3 t -72.91 -86.04 0.03 OUTLIER 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.378 -1.296 . . . . 0.0 108.11 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -163.47 52.8 0.16 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.856 1.662 . . . . 0.0 110.061 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 52.01 -96.18 0.05 OUTLIER 'General case' 0 C--N 1.353 0.743 0 CA-C-O 116.546 -1.692 . . . . 0.0 110.069 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 m -150.49 49.91 0.88 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-N 122.021 2.192 . . . . 0.0 110.971 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.8 mt -127.86 -71.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.94 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.9 63.21 5.94 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 171.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.6 ttp -165.34 -61.18 0.03 OUTLIER 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -177.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.71 -44.48 73.8 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.22 -43.35 82.75 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.9 mm -68.03 -53.59 28.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -175.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -56.04 -46.36 78.9 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -47.31 -57.97 4.64 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.78 -0.628 . . . . 0.0 110.611 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -73.39 -34.93 65.8 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.399 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.56 -60.82 3.2 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 117.702 -1.142 . . . . 0.0 111.084 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -62.06 -36.27 81.14 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-N 120.508 1.504 . . . . 0.0 110.481 -174.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.4 t -58.71 -52.84 55.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -57.81 -51.77 68.2 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.76 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -55.15 -46.3 75.7 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 118.616 0.644 . . . . 0.0 111.325 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.8 mt -68.35 -51.01 49.2 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-O 118.44 -0.79 . . . . 0.0 110.016 -172.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 pp -62.21 -34.06 75.74 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 119.89 1.223 . . . . 0.0 109.272 177.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.63 -32.9 73.91 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.343 0.974 . . . . 0.0 110.605 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -52.95 -43.15 66.11 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.469 1.032 . . . . 0.0 109.025 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.41 -46.25 33.97 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 172.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.03 -37.65 16.62 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-O 118.433 -1.204 . . . . 0.0 114.072 -175.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -65.8 -33.22 75.36 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.681 1.74 . . . . 0.0 109.085 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -62.06 -50.83 70.43 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 106.1 -1.815 . . . . 0.0 106.1 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -57.88 -29.2 64.85 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.4 -1.286 . . . . 0.0 112.391 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -132.35 41.74 3.18 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 119.834 1.197 . . . . 0.0 111.606 -176.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -156.78 -68.45 0.1 Allowed 'General case' 0 C--N 1.353 0.741 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 172.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -51.93 66.67 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 105.287 -2.116 . . . . 0.0 105.287 177.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -61.48 -40.15 93.5 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.17 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.48 -19.13 45.5 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 117.394 -1.289 . . . . 0.0 111.92 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.3 mt -56.74 -59.16 3.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 174.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 t -65.23 -37.63 87.87 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.073 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 C--N 1.355 0.808 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 177.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 . . . . . 0 CA--C 1.508 -0.67 0 CA-C-O 118.111 -0.947 . . . . 0.0 108.632 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.67 -46.65 74.08 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 173.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -54.49 143.55 23.81 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.926 -1.035 . . . . 0.0 109.238 178.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.08 -68.98 3.01 Favored Glycine 0 C--N 1.353 1.521 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.3 p -57.06 -32.53 66.33 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 117.341 -1.314 . . . . 0.0 111.129 -176.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -53.37 -38.12 63.04 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 120.698 1.59 . . . . 0.0 109.889 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.69 -48.52 88.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.6 t -67.95 -102.34 0.0 OUTLIER 'General case' 0 C--N 1.354 0.787 0 CA-C-O 116.628 -1.653 . . . . 0.0 107.445 172.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -162.73 58.39 0.21 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 122.198 2.272 . . . . 0.0 110.973 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 58.06 -105.81 0.28 Allowed 'General case' 0 C--N 1.353 0.755 0 CA-C-O 116.55 -1.69 . . . . 0.0 113.74 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.9 m -159.32 -65.05 0.08 Allowed 'General case' 0 C--N 1.356 0.851 0 CA-C-N 122.113 2.233 . . . . 0.0 111.318 -174.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.5 mm -68.27 -42.34 84.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 N-CA-C 105.534 -2.024 . . . . 0.0 105.534 173.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.3 -43.7 83.46 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.397 -1.287 . . . . 0.0 109.495 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.7 mtm -51.13 -50.94 57.9 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 120.872 1.669 . . . . 0.0 108.383 174.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -59.15 -59.16 5.91 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.317 -0.849 . . . . 0.0 111.527 -173.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -66.06 -39.49 90.14 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.424 1.011 . . . . 0.0 110.934 -172.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.6 mm -72.79 -45.51 56.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-N 119.255 0.934 . . . . 0.0 108.59 -174.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -61.25 -48.21 82.52 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -49.61 -51.77 35.12 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.245 175.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -54.61 -46.81 73.89 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.178 0.899 . . . . 0.0 109.27 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -67.22 -60.22 2.78 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.233 -172.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -69.86 -36.99 75.98 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.528 -1.225 . . . . 0.0 111.505 -173.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.88 -52.47 60.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 121.244 1.838 . . . . 0.0 108.191 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -58.13 -47.74 82.38 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.316 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -60.68 -48.02 83.65 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 118.458 -0.782 . . . . 0.0 111.109 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.7 mt -56.86 -55.15 38.17 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 118.867 0.758 . . . . 0.0 109.386 -175.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.79 -32.02 73.1 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.818 -1.087 . . . . 0.0 110.377 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.49 35.25 1.84 Allowed 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.302 0.956 . . . . 0.0 110.782 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -86.01 -57.16 3.14 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 tptp -74.73 -40.72 61.11 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 174.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.91 -50.05 27.7 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-O 118.536 -1.147 . . . . 0.0 112.026 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -62.77 -44.06 97.19 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 118.89 1.345 . . . . 0.0 109.579 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -53.76 -51.43 63.43 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.761 1.164 . . . . 0.0 108.777 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -62.44 -41.12 98.5 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.162 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -112.84 45.6 1.32 Allowed 'General case' 0 C--N 1.355 0.83 0 CA-C-N 118.612 0.642 . . . . 0.0 110.499 -174.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -168.46 -59.71 0.02 OUTLIER 'General case' 0 C--N 1.354 0.784 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -89.47 75.75 7.55 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -136.7 45.14 2.31 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -80.18 -53.83 6.31 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.3 tt -65.12 150.69 10.47 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-O 117.585 -1.198 . . . . 0.0 108.245 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.7 t -55.35 122.95 12.29 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 . . . . . 0 C--N 1.353 0.741 0 CA-C-N 119.87 1.214 . . . . 0.0 109.791 -173.331 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 . . . . . 0 CA--C 1.512 -0.495 0 CA-C-O 119.21 -0.424 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.0 104.51 0.72 Allowed 'General case' 0 C--N 1.354 0.77 0 CA-C-O 118.238 -0.887 . . . . 0.0 108.838 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -73.65 146.72 44.34 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 119.575 1.08 . . . . 0.0 109.314 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.35 -39.5 3.0 Favored Glycine 0 C--N 1.357 1.735 0 CA-C-N 119.556 1.071 . . . . 0.0 112.278 177.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.4 p -60.88 -28.44 68.87 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 118.723 1.261 . . . . 0.0 110.96 -178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -55.86 -35.13 66.12 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 121.36 1.891 . . . . 0.0 109.071 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.2 mt -71.45 -60.56 2.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.0 t -65.49 -58.23 6.32 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 119.429 1.013 . . . . 0.0 110.761 -171.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.52 -45.03 56.17 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-O 118.089 -0.958 . . . . 0.0 112.27 -173.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 72.58 -70.9 0.15 Allowed 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.789 -1.101 . . . . 0.0 109.417 -171.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.0 t -161.83 63.02 0.25 Allowed 'General case' 0 C--N 1.356 0.859 0 CA-C-N 120.458 1.481 . . . . 0.0 110.838 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.4 mm -134.5 -70.65 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.915 0 CA-C-O 117.995 -1.002 . . . . 0.0 108.892 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.01 59.43 0.61 Allowed 'General case' 0 C--N 1.358 0.937 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 175.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.413 ' SD ' ' C ' ' A' ' 14' ' ' MET . 13.1 tmm? -147.98 -65.15 0.25 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-O 118.183 -0.913 . . . . 0.0 108.946 -176.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.69 -43.82 95.5 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 172.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.55 -47.67 84.46 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.241 178.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 mm -60.31 -50.9 78.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.0 m170 -56.5 -42.02 77.65 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 118.948 -0.548 . . . . 0.0 109.686 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -57.52 -54.65 44.39 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -60.8 -38.53 85.67 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -178.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -60.18 -60.92 3.05 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.477 -1.249 . . . . 0.0 110.083 -176.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -67.78 -36.16 79.97 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.343 1.429 . . . . 0.0 111.24 -174.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.28 -59.28 4.33 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 120.944 1.702 . . . . 0.0 108.258 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -59.59 -45.1 92.89 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.208 -176.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -63.3 -55.61 23.26 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 117.698 -1.144 . . . . 0.0 110.029 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.5 mt -45.52 -61.18 1.79 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.567 1.076 . . . . 0.0 110.751 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.56 -34.45 76.97 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.184 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.61 -25.74 64.1 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.035 -1.459 . . . . 0.0 111.7 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -58.88 -31.25 68.4 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 121.049 1.75 . . . . 0.0 111.163 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -64.88 -52.17 58.0 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 174.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -50.81 -36.02 32.35 Favored Glycine 0 C--N 1.354 1.528 0 CA-C-O 118.566 -1.13 . . . . 0.0 111.797 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tppm? -59.39 -51.0 71.8 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 118.774 1.287 . . . . 0.0 107.564 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -56.6 -44.52 81.17 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 119.426 1.012 . . . . 0.0 109.052 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -62.72 -27.8 69.52 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 118.847 0.749 . . . . 0.0 111.499 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -78.55 13.94 1.44 Allowed 'General case' 0 C--N 1.355 0.822 0 CA-C-N 119.729 1.15 . . . . 0.0 112.555 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -149.2 -62.78 0.23 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 120.76 1.618 . . . . 0.0 109.454 -176.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.19 -49.92 76.01 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.684 1.129 . . . . 0.0 109.273 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -79.96 -42.97 22.9 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.066 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -54.4 -50.81 66.69 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 119.187 0.903 . . . . 0.0 109.843 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 41' ' ' THR . 1.7 mp -74.45 148.22 8.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 172.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 40' ' ' ILE . 38.2 m -19.46 114.0 0.02 OUTLIER 'General case' 0 C--N 1.356 0.863 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.355 0.841 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.016 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.53 73.58 6.2 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 172.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -71.2 88.35 0.82 Allowed 'General case' 0 C--N 1.355 0.829 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -174.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.3 -44.32 0.55 Allowed Glycine 0 C--N 1.353 1.524 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 p -59.76 -33.34 71.54 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.812 -1.089 . . . . 0.0 111.006 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -57.8 -32.26 67.38 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.015 1.279 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.8 mt -57.2 -51.74 65.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.1 t -66.5 -55.5 15.26 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 118.291 -0.862 . . . . 0.0 109.738 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -156.69 -68.16 0.1 Allowed 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.632 -1.175 . . . . 0.0 111.433 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -155.16 -74.24 0.11 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.337 1.426 . . . . 0.0 111.052 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.3 t 172.98 -55.01 0.01 OUTLIER 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.102 0.865 . . . . 0.0 109.768 -173.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.84 -51.07 53.89 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.9 -49.61 62.68 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.91 -0.716 . . . . 0.0 109.46 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 38.3 mmt -67.0 -35.94 81.07 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 117.706 -1.14 . . . . 0.0 111.577 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -60.62 -44.0 96.84 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 120.694 1.588 . . . . 0.0 108.659 177.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.7 -49.21 76.0 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.024 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.4 mm -59.18 -49.06 84.73 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -54.11 -44.55 71.37 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.893 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -55.06 -57.6 11.07 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.432 -0.907 . . . . 0.0 109.279 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -56.82 -40.03 75.26 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.568 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -61.99 -62.76 1.56 Allowed 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.553 -1.213 . . . . 0.0 110.38 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -66.16 -37.37 85.49 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 120.768 1.622 . . . . 0.0 111.093 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.4 t -58.18 -58.96 4.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 CA-C-N 120.164 1.347 . . . . 0.0 108.059 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -66.91 -49.34 65.86 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.731 -174.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -52.2 -49.64 63.5 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 118.852 0.751 . . . . 0.0 111.636 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.14 -51.95 58.14 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 119.503 -0.879 . . . . 0.0 109.897 -171.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -61.21 -34.73 75.58 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.065 1.302 . . . . 0.0 110.152 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.04 -17.74 60.44 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.699 -1.143 . . . . 0.0 111.913 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -56.98 -58.19 9.26 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.239 1.382 . . . . 0.0 108.807 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -24.21 67.38 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.226 0.921 . . . . 0.0 110.032 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -41.78 -43.82 4.24 Favored Glycine 0 C--N 1.355 1.622 0 CA-C-O 117.79 -1.561 . . . . 0.0 112.251 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -66.15 -45.6 80.41 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 119.821 1.81 . . . . 0.0 108.973 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.36 -49.76 23.73 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 120.086 1.312 . . . . 0.0 108.939 -176.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -65.97 -49.49 67.67 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.912 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -93.8 40.44 1.08 Allowed 'General case' 0 C--N 1.355 0.817 0 CA-C-O 118.814 -0.612 . . . . 0.0 112.083 -175.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 72.1 t90 -168.92 -61.37 0.02 OUTLIER 'General case' 0 C--N 1.352 0.687 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.068 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -69.29 -67.5 0.47 Allowed 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -61.42 -38.77 88.31 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.438 1.017 . . . . 0.0 109.057 -176.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -41.74 -38.2 1.39 Allowed 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.565 177.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.9 mm -57.23 -57.59 9.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-N 119.654 1.115 . . . . 0.0 108.575 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 t -67.44 -40.07 85.42 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.941 -1.028 . . . . 0.0 111.004 -175.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 . . . . . 0 C--N 1.354 0.769 0 CA-C-N 119.182 0.901 . . . . 0.0 109.821 -179.851 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 . . . . . 0 CA--C 1.511 -0.54 0 CA-C-O 118.433 -0.794 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.42 66.58 1.48 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -63.08 144.7 56.67 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.584 -1.198 . . . . 0.0 108.568 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.02 -38.92 2.95 Favored Glycine 0 C--N 1.356 1.669 0 CA-C-O 118.344 -1.253 . . . . 0.0 111.913 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.6 p -68.95 -50.31 50.34 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.565 1.682 . . . . 0.0 107.318 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -57.7 -34.59 69.6 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 119.356 -0.938 . . . . 0.0 110.073 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.37 -51.35 73.96 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 t -67.14 -60.66 2.42 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.005 0.821 . . . . 0.0 111.866 -176.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -85.05 -27.98 25.99 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.625 -1.179 . . . . 0.0 113.984 -171.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 72.62 -74.68 0.08 Allowed 'General case' 0 C--N 1.352 0.679 0 CA-C-O 117.895 -1.05 . . . . 0.0 109.527 -175.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.5 t -162.18 57.8 0.24 Allowed 'General case' 0 C--N 1.354 0.798 0 CA-C-N 120.388 1.449 . . . . 0.0 111.654 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.3 mt -135.92 -77.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.848 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.55 -45.35 54.08 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.756 1.162 . . . . 0.0 109.147 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.41 ' SD ' ' C ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -52.94 -36.91 60.44 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.211 0.914 . . . . 0.0 110.286 -176.32 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.5 -44.76 89.92 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.358 0.981 . . . . 0.0 110.126 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.96 -43.11 79.77 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.706 -177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -63.6 -47.18 92.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -59.45 -51.73 68.65 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -44.89 -49.94 10.68 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 118.411 0.551 . . . . 0.0 110.749 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -75.4 -44.15 46.25 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.051 -177.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.28 -58.57 5.61 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 117.423 -1.275 . . . . 0.0 111.617 -172.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -57.41 -38.16 73.88 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 121.191 1.814 . . . . 0.0 110.086 -177.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.6 t -56.76 -49.46 78.34 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 CA-C-N 119.112 0.869 . . . . 0.0 109.392 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -59.86 -46.53 88.98 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.738 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -61.37 -52.92 62.6 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.531 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.9 mt -55.74 -38.84 70.31 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 117.991 -1.004 . . . . 0.0 111.71 -172.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 pp -80.36 -35.57 35.25 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.282 0.946 . . . . 0.0 111.25 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.6 -51.81 8.8 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 119.639 1.108 . . . . 0.0 111.886 -172.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 65.5 -124.63 0.36 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-O 115.932 -1.985 . . . . 0.0 109.156 173.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -47.61 -40.14 18.65 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 122.737 2.517 . . . . 0.0 109.107 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.26 -45.57 35.05 Favored Glycine 0 C--N 1.351 1.373 0 C-N-CA 119.624 -1.275 . . . . 0.0 111.724 177.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -63.18 -54.49 36.75 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 118.902 1.351 . . . . 0.0 108.925 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -51.3 -55.56 17.67 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -51.49 -40.68 60.02 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.306 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -102.45 38.78 1.62 Allowed 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.003 0.82 . . . . 0.0 110.886 -178.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -164.42 -63.32 0.04 OUTLIER 'General case' 0 C--N 1.356 0.862 0 CA-C-N 119.925 1.239 . . . . 0.0 110.441 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -100.25 92.76 5.35 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 103.272 -2.862 . . . . 0.0 103.272 175.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -159.71 -54.92 0.06 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.885 -1.055 . . . . 0.0 111.55 -174.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -36.3 -38.03 0.14 Allowed 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.585 1.084 . . . . 0.0 113.524 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.78 -56.3 13.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.5 m -63.75 -59.05 5.06 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 176.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 . . . . . 0 CA--C 1.505 -0.786 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -177.686 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 CA--C 1.508 -0.672 0 CA-C-O 117.758 -1.115 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.01 -53.71 7.44 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 118.952 0.796 . . . . 0.0 109.194 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -53.51 128.62 29.58 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 117.476 -1.249 . . . . 0.0 108.817 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.41 -51.35 3.35 Favored Glycine 0 C--N 1.356 1.651 0 CA-C-N 119.74 1.154 . . . . 0.0 111.719 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.5 p -70.75 -40.19 72.84 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.215 1.508 . . . . 0.0 108.76 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -55.85 -36.25 67.34 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.172 1.351 . . . . 0.0 108.846 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.69 -53.41 42.51 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.9 t -89.6 -61.92 1.59 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.019 0.827 . . . . 0.0 111.812 -172.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -74.77 -26.29 59.65 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.326 -1.321 . . . . 0.0 112.146 -175.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 69.19 -74.61 0.08 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.639 1.109 . . . . 0.0 109.852 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.1 m -163.51 -57.6 0.04 OUTLIER 'General case' 0 C--N 1.351 0.646 0 CA-C-N 119.39 0.995 . . . . 0.0 110.842 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.4 mm 78.57 -61.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.72 55.92 0.68 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-N 119.316 0.962 . . . . 0.0 108.484 174.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -55.57 -38.61 69.59 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 118.607 -0.711 . . . . 0.0 110.846 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.99 -53.02 61.45 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.417 -0.913 . . . . 0.0 108.948 -177.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -65.54 -49.56 68.46 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.458 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.4 mm -65.25 -46.43 90.74 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 C-N-CA 119.709 -0.797 . . . . 0.0 108.869 -173.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -64.06 -52.04 61.23 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.36 -176.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -56.9 -48.9 77.11 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.518 1.054 . . . . 0.0 111.065 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.93 -35.73 82.11 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 118.886 -1.126 . . . . 0.0 108.97 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -64.88 -63.11 1.2 Allowed 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.907 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -69.16 -34.58 75.2 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 120.02 1.282 . . . . 0.0 111.862 -170.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.6 t -65.36 -51.63 61.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -56.51 -47.45 79.31 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 119.457 -0.897 . . . . 0.0 109.977 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -54.09 -46.5 72.08 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.791 -176.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.3 mt -71.21 -52.09 21.05 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.559 -0.857 . . . . 0.0 109.698 -173.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -59.46 -30.84 68.8 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.988 1.267 . . . . 0.0 110.541 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.63 -40.29 66.55 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.4 1.0 . . . . 0.0 110.202 177.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -50.16 -58.3 5.87 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 118.825 -0.607 . . . . 0.0 109.506 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.81 -42.0 77.89 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 176.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -35.74 -43.73 0.62 Allowed Glycine 0 C--N 1.354 1.555 0 CA-C-O 117.766 -1.575 . . . . 0.0 113.874 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 36' ' ' TRP . 15.7 ptmt -63.84 -47.72 79.66 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.226 2.013 . . . . 0.0 108.121 -179.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -51.62 -52.05 50.77 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 120.222 1.374 . . . . 0.0 108.448 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -53.8 -39.25 65.31 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.704 -1.141 . . . . 0.0 111.324 -177.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -134.03 49.43 2.26 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 118.937 0.79 . . . . 0.0 111.952 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.422 ' N ' ' O ' ' A' ' 32' ' ' LYS . 3.6 t90 -155.04 -63.13 0.12 Allowed 'General case' 0 C--N 1.354 0.793 0 CA-C-O 118.727 -0.654 . . . . 0.0 109.531 174.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -73.94 -52.19 13.64 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -58.52 -38.71 78.31 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 119.751 -0.78 . . . . 0.0 109.452 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -58.02 -46.47 85.23 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.736 -0.65 . . . . 0.0 110.622 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.3 mt -58.01 -60.24 2.46 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.263 -176.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.9 t -55.57 -39.73 71.04 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 118.89 -1.124 . . . . 0.0 109.18 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.355 0.814 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 . . . . . 0 CA--C 1.51 -0.566 0 CA-C-O 118.542 -0.742 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.16 82.67 0.08 Allowed 'General case' 0 C--N 1.352 0.709 0 CA-C-N 118.373 0.533 . . . . 0.0 110.784 -174.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -72.7 143.87 47.9 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.1 -47.84 1.02 Allowed Glycine 0 C--N 1.355 1.615 0 N-CA-C 108.16 -1.976 . . . . 0.0 108.16 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.3 p -72.47 -41.34 66.15 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.233 1.017 . . . . 0.0 108.264 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -62.06 -41.96 98.7 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 120.036 1.289 . . . . 0.0 109.699 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.63 -56.91 13.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.4 t -50.94 -39.75 55.68 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.359 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -66.11 -45.81 79.84 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.562 -0.733 . . . . 0.0 111.022 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 62.5 -85.49 0.02 OUTLIER 'General case' 0 C--N 1.352 0.681 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -171.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.9 m -148.91 49.11 0.99 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.258 1.39 . . . . 0.0 108.744 175.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 mm -117.87 -70.37 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.927 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.34 24.36 11.08 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.286 176.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -66.94 -39.41 87.29 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 120.52 1.509 . . . . 0.0 108.718 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -67.19 -32.86 74.22 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.365 -0.826 . . . . 0.0 109.951 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -61.95 -44.31 97.03 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.345 0.975 . . . . 0.0 109.468 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.4 mm -68.85 -40.64 81.51 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -54.28 -48.73 70.92 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.311 1.414 . . . . 0.0 108.189 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.46 -56.52 14.53 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -50.68 -51.07 52.78 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 119.279 -0.968 . . . . 0.0 109.041 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.88 -71.4 0.15 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.527 -1.225 . . . . 0.0 111.278 -175.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -59.24 -29.48 67.57 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 121.271 1.85 . . . . 0.0 112.156 -170.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.0 -65.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-N 120.12 1.327 . . . . 0.0 108.468 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 25' ' ' TRP . 52.6 p-10 -66.51 -41.69 88.46 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.589 1.086 . . . . 0.0 111.546 -173.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.435 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 20.6 t90 -61.06 -49.84 75.73 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.385 -175.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.1 mt -76.77 -41.41 44.86 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 119.31 -0.956 . . . . 0.0 111.465 -170.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -57.96 -36.52 72.69 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 120.144 1.338 . . . . 0.0 108.941 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.59 -42.02 68.27 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.877 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -49.04 -49.8 39.45 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 118.811 0.732 . . . . 0.0 109.557 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -70.79 -44.32 66.85 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 119.777 -0.769 . . . . 0.0 109.047 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.66 -30.48 27.94 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-O 118.498 -1.168 . . . . 0.0 112.537 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -56.61 -43.77 80.49 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.309 1.555 . . . . 0.0 109.421 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -64.13 -37.53 87.79 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.507 -0.759 . . . . 0.0 108.99 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -67.61 -40.53 84.71 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-O 117.837 -1.077 . . . . 0.0 110.282 177.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -116.74 44.33 2.06 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 118.917 0.78 . . . . 0.0 112.241 -174.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -161.88 -63.29 0.05 Allowed 'General case' 0 C--N 1.352 0.695 0 CA-C-N 118.99 0.813 . . . . 0.0 109.598 169.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -67.86 -41.02 83.54 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 172.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 73.92 50.02 0.12 Allowed 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -79.59 -51.58 9.1 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 172.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.9 mm -85.1 141.14 14.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.1 t -54.63 163.91 0.84 Allowed 'General case' 0 C--N 1.357 0.918 0 CA-C-N 119.946 1.248 . . . . 0.0 112.786 -173.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 . . . . . 0 C--N 1.353 0.726 0 O-C-N 123.787 0.679 . . . . 0.0 109.943 178.008 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 CA--C 1.509 -0.633 0 CA-C-O 118.434 -0.793 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.98 48.34 1.34 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-O 118.808 -0.615 . . . . 0.0 109.77 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.17 145.48 50.96 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.64 -47.15 1.07 Allowed Glycine 0 C--N 1.354 1.551 0 N-CA-C 108.967 -1.653 . . . . 0.0 108.967 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 t -62.45 -36.17 81.59 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 119.579 1.689 . . . . 0.0 110.55 177.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -70.98 -40.08 72.11 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.3 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.5 mt -75.33 -55.4 11.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.1 m -58.03 -57.64 11.91 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.039 -175.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -160.33 63.61 0.33 Allowed 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.686 -175.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 53.27 -90.92 0.02 OUTLIER 'General case' 0 C--N 1.35 0.596 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 167.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 m -177.68 -53.78 0.01 OUTLIER 'General case' 0 C--N 1.355 0.838 0 CA-C-N 121.132 1.787 . . . . 0.0 111.81 -167.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.3 mt -70.03 -57.82 7.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 119.384 0.993 . . . . 0.0 108.754 -175.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.98 12.84 3.75 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 117.941 -1.028 . . . . 0.0 112.27 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.5 ptm -53.71 -35.69 61.43 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.221 1.373 . . . . 0.0 110.993 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.64 -47.0 77.07 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 119.452 -0.899 . . . . 0.0 108.781 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -59.41 -54.74 43.26 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.371 -0.932 . . . . 0.0 110.052 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.6 mm -70.31 -46.15 72.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 118.174 -0.917 . . . . 0.0 109.833 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -59.49 -50.01 75.59 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 119.914 1.233 . . . . 0.0 108.593 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -53.78 -54.9 31.71 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.369 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -51.09 -46.15 61.72 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.601 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -68.19 -60.47 2.45 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 117.752 -1.118 . . . . 0.0 111.206 -173.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -62.97 -37.76 88.42 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 120.461 1.482 . . . . 0.0 110.56 -175.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.6 -51.07 77.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-N 119.838 1.199 . . . . 0.0 108.223 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.58 -48.64 80.86 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.153 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -55.01 -50.02 70.07 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.944 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.7 mt -64.06 -51.45 64.06 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.477 -171.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -61.75 -36.12 80.08 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 119.811 1.187 . . . . 0.0 109.871 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.13 -23.07 60.44 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.895 -1.05 . . . . 0.0 111.851 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -53.83 -57.11 12.09 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.693 1.133 . . . . 0.0 108.801 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.76 -24.57 66.91 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.194 0.906 . . . . 0.0 111.488 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.28 -27.97 53.86 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 118.011 -1.438 . . . . 0.0 111.736 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.7 pttt -60.95 -34.94 75.52 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.088 1.944 . . . . 0.0 109.698 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -60.67 -55.59 31.45 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -51.95 -42.76 63.13 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 118.355 -0.831 . . . . 0.0 111.016 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -107.23 28.56 7.96 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 118.131 -0.938 . . . . 0.0 113.033 -172.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -159.45 -61.55 0.07 Allowed 'General case' 0 C--N 1.354 0.768 0 CA-C-N 119.73 1.15 . . . . 0.0 110.66 172.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -60.31 3.3 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 105.423 -2.065 . . . . 0.0 105.423 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -66.7 -32.53 73.9 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.619 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -48.69 -37.71 19.37 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 119.877 1.217 . . . . 0.0 110.584 177.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.2 mt -58.97 -57.52 10.93 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.1 t -62.32 -34.11 75.99 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.671 -176.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 . . . . . 0 C--N 1.355 0.847 0 CA-C-N 119.315 0.961 . . . . 0.0 109.076 -179.298 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 118.62 -0.705 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.9 70.21 10.85 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.11 144.88 56.78 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.731 -1.128 . . . . 0.0 108.168 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.11 -38.03 3.25 Favored Glycine 0 C--N 1.356 1.651 0 CA-C-O 117.979 -1.456 . . . . 0.0 111.474 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.6 p -66.32 -39.54 89.33 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 120.162 1.981 . . . . 0.0 108.864 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -62.72 -26.53 68.73 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 120.132 1.333 . . . . 0.0 110.494 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.0 mt -73.1 -55.43 12.77 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.3 t -85.57 -61.26 1.8 Allowed 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.623 0.647 . . . . 0.0 111.223 -173.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.35 -27.93 65.77 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.11 -1.424 . . . . 0.0 111.718 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 72.48 -71.35 0.14 Allowed 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -172.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.9 p -177.06 -58.67 0.01 OUTLIER 'General case' 0 C--N 1.351 0.663 0 CA-C-O 117.643 -1.17 . . . . 0.0 112.319 177.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.2 mt 85.39 -60.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.823 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -174.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -154.14 66.74 0.72 Allowed 'General case' 0 C--N 1.355 0.843 0 CA-C-N 119.523 1.056 . . . . 0.0 110.331 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.2 mtm -149.79 -58.51 0.2 Allowed 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.198 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -56.3 -41.95 76.77 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.682 1.128 . . . . 0.0 110.433 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -63.66 -43.5 96.56 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.521 1.055 . . . . 0.0 108.512 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.4 mm -59.25 -37.37 68.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -66.58 -48.45 69.57 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 119.513 1.052 . . . . 0.0 108.555 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -49.45 -44.28 45.51 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -69.87 -45.66 67.21 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 119.97 -0.692 . . . . 0.0 109.877 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -65.79 -60.77 2.54 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.466 -1.254 . . . . 0.0 111.299 -174.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -62.26 -38.7 90.28 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.819 1.645 . . . . 0.0 110.649 -174.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.66 -55.88 20.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 119.803 1.183 . . . . 0.0 108.312 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.67 -48.32 82.14 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.096 -175.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 17.7 t90 -54.48 -48.0 72.31 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.383 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.51 -50.4 38.18 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.998 -171.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.01 -34.07 72.84 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.866 1.212 . . . . 0.0 109.943 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.61 -28.13 60.76 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.348 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -55.96 -44.57 78.61 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.94 1.245 . . . . 0.0 108.881 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -79.04 -49.75 12.17 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -45.75 -41.4 9.94 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 118.565 -1.131 . . . . 0.0 113.913 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 36' ' ' TRP . 20.3 ptmt -63.99 -41.26 97.55 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.309 1.555 . . . . 0.0 108.704 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.96 -47.32 83.28 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 176.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -62.43 -28.38 69.76 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 117.396 -1.288 . . . . 0.0 112.285 -178.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -144.71 51.67 1.25 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-N 119.948 1.249 . . . . 0.0 111.696 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' LYS . 5.4 t90 -155.99 -61.25 0.1 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 172.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -68.44 -50.4 52.93 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 171.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -54.04 -46.01 71.79 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 118.783 -0.627 . . . . 0.0 109.906 176.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -78.4 67.7 4.25 Favored 'General case' 0 C--N 1.355 0.848 0 CA-C-N 118.602 0.637 . . . . 0.0 111.133 -176.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 90.2 mt -126.3 -69.14 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.798 0 N-CA-C 104.385 -2.45 . . . . 0.0 104.385 170.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.2 m -66.18 -51.48 57.34 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 167.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.355 0.805 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 . . . . . 0 CA--C 1.508 -0.652 0 CA-C-O 117.894 -1.051 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.37 -45.55 46.02 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 119.153 0.888 . . . . 0.0 109.402 176.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.53 143.61 57.53 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 117.689 -1.148 . . . . 0.0 108.362 177.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.17 -61.69 4.61 Favored Glycine 0 C--N 1.355 1.603 0 CA-C-N 119.97 1.259 . . . . 0.0 110.571 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.7 p -60.84 -37.87 83.53 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 118.746 1.273 . . . . 0.0 110.083 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -52.84 -34.87 56.09 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.213 1.37 . . . . 0.0 110.253 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.447 ' O ' ' CZ ' ' A' ' 10' ' ' TYR . 90.8 mt -61.49 -55.28 25.49 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.2 t -86.26 -56.23 3.54 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.473 1.033 . . . . 0.0 111.741 -175.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.09 -46.06 79.03 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 118.446 -0.788 . . . . 0.0 111.403 -174.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' CZ ' ' O ' ' A' ' 7' ' ' ILE . 77.9 m-85 73.13 -61.18 0.51 Allowed 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.366 -1.302 . . . . 0.0 111.058 -171.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.7 m -145.74 58.19 1.24 Allowed 'General case' 0 C--N 1.357 0.893 0 CA-C-N 120.991 1.723 . . . . 0.0 111.684 -176.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mt -138.54 -64.93 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.913 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 174.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.24 56.47 1.03 Allowed 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 173.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.3 ttp -164.6 -57.11 0.03 OUTLIER 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.852 -0.594 . . . . 0.0 110.289 -176.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.32 -49.61 71.08 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -56.34 -47.61 78.44 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 174.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.0 mm -54.46 -43.34 63.16 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -175.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -61.76 -60.51 3.54 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 119.577 1.08 . . . . 0.0 109.326 -178.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -59.16 -52.67 64.7 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.079 0.854 . . . . 0.0 109.615 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -48.52 -51.05 29.35 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-O 119.048 -0.501 . . . . 0.0 110.698 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.73 -58.48 3.44 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.717 -1.135 . . . . 0.0 110.919 -172.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -63.14 -40.43 97.55 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.287 1.403 . . . . 0.0 110.388 -174.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.0 t -61.8 -56.69 16.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-N 120.6 1.545 . . . . 0.0 108.063 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -52.56 -46.13 66.69 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.634 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -61.28 -48.57 80.81 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.338 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.3 mt -57.96 -56.62 19.66 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 119.205 0.911 . . . . 0.0 109.012 -176.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 pp -62.27 -35.19 78.23 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.694 -1.146 . . . . 0.0 110.664 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.38 49.25 0.85 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.716 1.144 . . . . 0.0 109.167 176.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -85.36 143.75 28.45 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.51 52.98 12.31 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -95.5 -57.73 1.17 Allowed Glycine 0 C--N 1.354 1.531 0 CA-C-O 118.222 -1.321 . . . . 0.0 109.824 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -32.21 -52.02 0.27 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-N 117.856 0.828 . . . . 0.0 112.841 -177.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -54.97 -57.45 11.63 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 118.969 0.804 . . . . 0.0 109.403 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -63.13 -38.88 92.93 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 117.876 -1.059 . . . . 0.0 111.065 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -99.63 25.61 6.96 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.641 -1.171 . . . . 0.0 112.599 -175.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -161.84 -59.27 0.05 OUTLIER 'General case' 0 C--N 1.356 0.888 0 CA-C-N 120.906 1.684 . . . . 0.0 112.287 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -75.45 -65.78 0.85 Allowed 'General case' 0 C--N 1.356 0.879 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -64.57 -35.39 80.82 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.029 -1.069 . . . . 0.0 109.529 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -41.11 -40.47 1.51 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-N 118.865 0.757 . . . . 0.0 111.413 176.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.64 -58.16 8.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.054 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.8 t -61.79 -40.63 95.9 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.23 1.377 . . . . 0.0 110.84 -177.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--N 1.354 0.791 0 CA-C-N 118.876 0.762 . . . . 0.0 109.471 -178.3 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 . . . . . 0 CA--C 1.507 -0.689 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.765 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.21 -48.82 64.88 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 119.214 0.915 . . . . 0.0 109.716 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -59.19 139.98 56.38 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 117.728 -1.129 . . . . 0.0 108.751 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.39 -63.72 4.37 Favored Glycine 0 C--N 1.355 1.602 0 CA-C-N 119.679 1.127 . . . . 0.0 110.552 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.6 p -61.74 -35.61 78.6 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 118.501 1.151 . . . . 0.0 110.359 -176.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -53.25 -32.8 50.22 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.304 1.411 . . . . 0.0 110.279 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.416 ' O ' ' CZ ' ' A' ' 10' ' ' TYR . 95.1 mt -64.64 -54.52 29.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 t -87.33 -58.7 2.49 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.463 1.029 . . . . 0.0 111.477 -174.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.06 -39.1 89.84 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 118.137 -0.935 . . . . 0.0 111.809 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.416 ' CZ ' ' O ' ' A' ' 7' ' ' ILE . 72.0 m-85 71.79 -75.3 0.08 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.137 -0.935 . . . . 0.0 109.297 -171.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 m -172.97 -54.5 0.02 OUTLIER 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.96 1.255 . . . . 0.0 110.986 -176.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.8 mm 80.02 -62.33 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.887 0 CA-C-O 118.023 -0.989 . . . . 0.0 108.57 -175.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.05 59.5 0.94 Allowed 'General case' 0 C--N 1.356 0.872 0 CA-C-N 119.388 0.995 . . . . 0.0 108.975 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -54.67 -33.89 61.46 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.075 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -56.03 -52.5 64.03 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.337 0.972 . . . . 0.0 108.697 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -61.58 -49.83 75.07 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.14 -177.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.5 mm -63.87 -53.01 49.62 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 C-N-CA 119.552 -0.859 . . . . 0.0 108.993 -173.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -64.85 -53.28 49.21 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.858 -0.591 . . . . 0.0 109.421 -174.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -52.3 -51.22 59.83 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -57.62 -49.26 77.01 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.95 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.55 -62.96 1.17 Allowed 'General case' 0 C--N 1.352 0.697 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.349 -172.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -60.57 -31.01 70.16 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.704 1.138 . . . . 0.0 111.207 -173.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.0 t -60.96 -62.21 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 120.53 1.514 . . . . 0.0 108.441 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -56.39 -45.34 80.65 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.114 0.87 . . . . 0.0 110.663 -177.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -63.13 -58.74 6.22 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 119.399 -0.92 . . . . 0.0 110.903 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.6 mt -56.33 -42.01 77.0 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.284 -168.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 pp -72.08 -36.39 69.5 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.228 0.922 . . . . 0.0 111.068 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.59 -47.64 18.87 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.811 1.187 . . . . 0.0 112.563 -174.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 56.07 49.1 16.29 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -172.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -164.8 -57.33 0.03 OUTLIER 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.048 -0.977 . . . . 0.0 111.274 -177.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.86 -50.27 51.01 Favored Glycine 0 C--N 1.355 1.63 0 CA-C-N 119.905 1.229 . . . . 0.0 111.064 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -59.63 -47.1 86.91 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 118.171 0.986 . . . . 0.0 109.197 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -65.07 -21.06 66.76 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 117.767 -1.111 . . . . 0.0 111.248 -177.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.54 -36.48 33.05 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.264 -1.35 . . . . 0.0 110.071 177.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -129.09 52.12 1.99 Allowed 'General case' 0 C--N 1.359 0.994 0 CA-C-N 119.713 1.142 . . . . 0.0 111.324 -175.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -164.6 -61.79 0.03 OUTLIER 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 173.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -76.81 -46.83 23.43 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 168.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 79.45 41.97 0.08 Allowed 'General case' 0 C--N 1.356 0.85 0 O-C-N 123.489 0.493 . . . . 0.0 110.205 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -66.37 -30.51 70.91 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.508 -1.234 . . . . 0.0 109.77 176.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.8 tp -34.45 -42.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.919 0 CA-C-O 118.198 -0.906 . . . . 0.0 112.194 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.9 m -107.38 -58.21 1.98 Allowed 'General case' 0 C--N 1.356 0.859 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 173.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.355 0.811 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 . . . . . 0 CA--C 1.508 -0.641 0 CA-C-O 118.722 -0.656 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.04 92.85 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 169.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -50.37 149.39 3.07 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.098 -0.953 . . . . 0.0 111.424 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.35 -77.27 0.89 Allowed Glycine 0 C--N 1.356 1.671 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 176.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.6 p -40.76 -45.24 2.39 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.926 -1.035 . . . . 0.0 112.066 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -52.61 -37.92 59.18 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.742 1.155 . . . . 0.0 111.056 -175.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.5 mt -59.08 -50.19 80.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.9 t -59.57 -65.66 0.64 Allowed 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.791 -1.1 . . . . 0.0 108.155 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -151.51 -73.0 0.15 Allowed 'General case' 0 C--N 1.357 0.904 0 CA-C-O 117.355 -1.307 . . . . 0.0 110.743 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -151.55 -68.9 0.17 Allowed 'General case' 0 C--N 1.358 0.976 0 CA-C-N 120.613 1.551 . . . . 0.0 111.006 -177.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.7 p 145.14 -60.66 0.0 OUTLIER 'General case' 0 C--N 1.357 0.92 0 CA-C-N 119.261 0.937 . . . . 0.0 109.172 176.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.9 mm 72.02 -63.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.809 0 CA-C-O 118.767 -0.635 . . . . 0.0 109.693 -173.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.67 3.01 10.48 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 116.669 -1.634 . . . . 0.0 113.279 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -32.81 63.9 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 122.121 2.237 . . . . 0.0 109.075 177.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -60.48 -47.07 87.73 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.122 -0.942 . . . . 0.0 108.51 176.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -61.78 -46.38 89.8 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.339 0.972 . . . . 0.0 109.734 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.9 mm -57.29 -46.69 85.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -178.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -64.73 -47.81 76.91 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -49.05 -55.98 10.41 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 118.582 0.628 . . . . 0.0 109.609 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.77 -46.91 87.53 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.52 -62.76 1.29 Allowed 'General case' 0 C--N 1.351 0.653 0 CA-C-O 116.642 -1.647 . . . . 0.0 111.749 -171.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -58.1 -36.91 73.56 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 121.796 2.089 . . . . 0.0 111.111 -175.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -59.19 -54.27 36.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-N 120.203 1.365 . . . . 0.0 107.786 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -63.4 -39.72 95.27 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 120.574 -0.451 . . . . 0.0 111.265 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -70.26 -51.21 32.31 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 118.587 -0.721 . . . . 0.0 109.557 -175.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.1 mt -51.66 -56.09 15.63 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.86 -34.56 78.67 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.585 -177.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.11 -1.82 34.34 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 116.133 -1.889 . . . . 0.0 112.573 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -61.01 -44.11 97.89 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 122.314 2.325 . . . . 0.0 109.785 176.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -55.87 -48.92 74.7 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 174.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.52 -34.81 60.44 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.701 176.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -65.66 -47.5 75.32 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.397 1.599 . . . . 0.0 108.733 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -57.22 -43.27 82.68 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -62.23 -38.96 91.21 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.271 -0.972 . . . . 0.0 110.759 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -73.87 -4.86 37.49 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.117 -1.42 . . . . 0.0 113.068 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -142.6 -64.78 0.41 Allowed 'General case' 0 C--N 1.355 0.828 0 CA-C-N 120.947 1.703 . . . . 0.0 111.267 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.75 -54.63 26.35 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.57 1.077 . . . . 0.0 108.743 -178.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -59.37 -47.7 84.44 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 119.238 -0.985 . . . . 0.0 108.984 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -54.41 -26.01 28.11 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.38 -1.295 . . . . 0.0 112.283 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.1 mm -57.88 -53.54 43.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 120.845 1.657 . . . . 0.0 106.946 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.3 m -68.89 -60.99 1.99 Allowed 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? . . . . . 0 CA--C 1.505 -0.78 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 176.67 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 CA--C 1.509 -0.607 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.77 73.65 2.73 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 172.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -62.44 137.87 58.35 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.399 -1.286 . . . . 0.0 108.941 -173.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.44 -41.25 2.28 Favored Glycine 0 C--N 1.357 1.703 0 CA-C-O 118.519 -1.156 . . . . 0.0 110.765 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.8 p -74.67 -56.88 4.32 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.056 1.428 . . . . 0.0 109.448 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -51.16 -34.28 30.63 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 119.752 -0.779 . . . . 0.0 109.745 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.4 mt -66.33 -56.31 14.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 176.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.7 t -65.82 -79.44 0.04 OUTLIER 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.421 -1.276 . . . . 0.0 110.091 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -160.77 44.71 0.19 Allowed 'General case' 0 C--N 1.357 0.892 0 CA-C-N 120.799 1.636 . . . . 0.0 112.416 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 62.09 -60.22 0.12 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 173.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.9 m 87.14 -57.4 0.04 OUTLIER 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.772 1.624 . . . . 0.0 108.905 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.9 mt 71.37 -71.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 119.059 0.845 . . . . 0.0 110.633 172.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.62 -8.54 35.45 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.68 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -41.67 -31.33 0.28 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.693 1.588 . . . . 0.0 113.323 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -49.58 -44.29 46.8 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 120.652 1.569 . . . . 0.0 110.325 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -60.04 -46.37 89.73 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 175.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.7 mm -58.64 -32.31 45.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-O 118.21 -0.9 . . . . 0.0 109.044 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -64.33 -46.65 82.58 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 120.2 1.364 . . . . 0.0 107.607 177.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -56.97 -54.03 51.36 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.698 -0.801 . . . . 0.0 108.988 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -50.28 -44.51 53.88 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 120.221 -0.592 . . . . 0.0 109.652 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -67.63 -65.45 0.69 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.27 -1.348 . . . . 0.0 110.64 -175.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -61.92 -38.85 89.98 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 121.484 1.947 . . . . 0.0 110.464 -173.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.68 -56.26 18.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 CA-C-N 119.991 1.269 . . . . 0.0 108.905 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -67.21 -49.97 62.6 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.36 -174.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.8 t90 -49.38 -47.42 47.66 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 118.415 -0.802 . . . . 0.0 112.587 -177.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.8 mt -68.67 -56.12 9.2 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.432 -0.907 . . . . 0.0 109.169 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 pp -61.57 -26.37 67.91 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.662 -1.161 . . . . 0.0 110.924 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.96 -42.95 46.93 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.94 1.245 . . . . 0.0 109.223 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -58.0 -57.27 13.53 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -62.32 -44.12 97.24 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.33 -50.86 5.47 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-O 117.904 -1.498 . . . . 0.0 113.367 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 36' ' ' TRP . 20.8 pttp -67.47 -47.69 69.37 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.073 1.936 . . . . 0.0 107.576 -179.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -45.06 -45.57 11.0 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 120.729 1.604 . . . . 0.0 109.367 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -62.67 -52.22 64.16 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.702 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -103.01 50.64 0.81 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-N 118.649 0.659 . . . . 0.0 111.069 -177.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' LYS . 30.1 t90 -164.66 -75.03 0.03 OUTLIER 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.466 -1.255 . . . . 0.0 108.505 174.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -56.94 -51.15 70.3 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 120.58 1.536 . . . . 0.0 108.43 -175.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -61.41 -43.04 99.57 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -60.56 -41.27 94.24 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.83 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.6 mm -62.9 -49.3 84.15 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 m -50.97 -45.01 60.78 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -176.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 . . . . . 0 C--N 1.354 0.782 0 N-CA-C 106.684 -1.598 . . . . 0.0 106.684 170.846 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 CA--C 1.511 -0.525 0 CA-C-O 118.647 -0.692 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.09 69.45 4.44 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -61.64 147.55 45.44 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.267 -177.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.83 -45.44 1.71 Allowed Glycine 0 C--N 1.357 1.704 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.9 p -65.4 -52.2 55.12 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.671 1.235 . . . . 0.0 109.258 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -56.35 -30.74 63.03 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.84 1.2 . . . . 0.0 110.484 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 73.2 mt -69.01 -55.69 14.62 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 177.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.5 t -89.52 -56.79 3.11 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 118.573 0.624 . . . . 0.0 112.531 -171.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -33.34 69.2 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-O 117.958 -1.02 . . . . 0.0 111.99 -176.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 79.34 -69.79 0.11 Allowed 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.484 -1.246 . . . . 0.0 112.658 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -161.65 -57.34 0.05 OUTLIER 'General case' 0 C--N 1.356 0.862 0 CA-C-N 120.866 1.666 . . . . 0.0 114.951 -169.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.3 mt -62.93 -64.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-N 119.726 1.148 . . . . 0.0 110.319 -166.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.18 -56.21 20.98 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.366 -0.934 . . . . 0.0 108.941 -175.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.9 ptm -48.66 -36.94 17.07 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-O 117.733 -1.127 . . . . 0.0 112.484 -177.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -67.75 -53.17 29.4 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 120.363 1.438 . . . . 0.0 108.442 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -52.07 -48.19 64.78 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 118.997 0.817 . . . . 0.0 110.377 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.1 mm -73.11 -44.38 56.4 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.388 -172.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -63.96 -53.3 52.44 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 119.802 1.183 . . . . 0.0 108.044 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -49.18 -57.69 6.28 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -53.18 -46.34 68.92 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 119.165 -0.445 . . . . 0.0 111.467 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -76.5 -56.75 4.34 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 117.835 -1.079 . . . . 0.0 111.315 -169.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -65.67 -37.93 87.86 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 120.426 1.466 . . . . 0.0 109.574 -175.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.1 t -54.53 -47.36 71.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 120.513 1.506 . . . . 0.0 107.514 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -62.51 -38.28 89.32 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.45 -0.786 . . . . 0.0 111.73 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -69.26 -47.03 65.83 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.142 1.337 . . . . 0.0 110.904 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -55.25 -52.93 61.83 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.52 -36.49 78.51 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.98 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.82 24.99 3.82 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.539 1.063 . . . . 0.0 112.45 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 30' ' ' LYS . 19.2 tt0 -78.57 -34.05 47.25 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.167 -1.396 . . . . 0.0 109.673 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -24.0 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.358 0.937 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -179.141 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.42 19.69 1.88 Allowed Glycine 0 C--N 1.354 1.575 0 CA-C-O 116.146 -2.474 . . . . 0.0 114.136 178.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 54.94 77.57 0.21 Allowed 'General case' 0 C--N 1.36 1.04 0 CA-C-N 121.389 2.594 . . . . 0.0 107.227 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -134.71 -70.79 0.49 Allowed 'General case' 0 C--N 1.359 1.003 0 CA-C-O 118.396 -0.812 . . . . 0.0 111.309 -177.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -65.99 -21.93 66.43 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 120.17 1.35 . . . . 0.0 111.559 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -116.55 49.16 1.18 Allowed 'General case' 0 C--N 1.355 0.835 0 CA-C-N 120.036 1.289 . . . . 0.0 107.833 175.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -163.69 -59.04 0.04 OUTLIER 'General case' 0 C--N 1.357 0.922 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.932 -177.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.62 -44.2 62.25 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 173.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -38.11 -42.18 0.64 Allowed 'General case' 0 C--N 1.355 0.82 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.305 172.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -38.18 -41.35 0.59 Allowed 'General case' 0 C--N 1.353 0.758 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.27 -64.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 -174.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.9 t -58.95 -35.77 73.7 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.272 0.942 . . . . 0.0 110.184 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 . . . . . 0 C--N 1.354 0.779 0 CA-C-N 118.549 0.613 . . . . 0.0 110.894 179.798 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.56 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -62.79 -59.84 4.31 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.198 -0.906 . . . . 0.0 109.435 -175.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -58.35 -42.22 86.43 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 120.121 1.328 . . . . 0.0 111.043 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -67.31 -57.61 6.33 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.169 0.895 . . . . 0.0 109.38 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 mm -61.57 -37.78 78.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.143 -175.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -64.45 -50.0 69.24 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -53.49 -57.93 8.94 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -48.1 -51.58 23.99 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 118.44 0.564 . . . . 0.0 110.568 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -67.47 -63.64 1.02 Allowed 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 117.537 -1.221 . . . . 0.0 110.73 -170.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -59.66 -37.97 80.18 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 120.6 1.545 . . . . 0.0 110.244 -174.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.72 -52.98 53.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 CA-C-N 120.205 1.366 . . . . 0.0 108.374 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -55.97 -50.36 71.03 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.659 -0.816 . . . . 0.0 110.043 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.3 t90 -55.07 -44.79 75.14 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-O 118.413 -0.803 . . . . 0.0 111.622 -176.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.9 mt -69.02 -53.33 21.09 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 118.952 0.796 . . . . 0.0 109.808 -174.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 pp -61.66 -37.03 82.54 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.656 1.116 . . . . 0.0 109.875 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.66 81.22 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.506 -0.759 . . . . 0.0 110.331 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -50.27 -43.18 53.22 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 118.778 0.717 . . . . 0.0 109.299 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -75.26 -58.44 3.28 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.42 -53.11 5.1 Favored Glycine 0 C--N 1.353 1.506 0 CA-C-O 119.117 -0.824 . . . . 0.0 113.925 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt . . . . . 0 C--N 1.351 0.668 0 CA-C-O 117.829 -1.081 . . . . 0.0 111.058 -177.486 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.506 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.6 ttp -165.34 -61.18 0.03 OUTLIER 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -177.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.71 -44.48 73.8 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.22 -43.35 82.75 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.9 mm -68.03 -53.59 28.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -175.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -56.04 -46.36 78.9 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -47.31 -57.97 4.64 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.78 -0.628 . . . . 0.0 110.611 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -73.39 -34.93 65.8 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.399 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.56 -60.82 3.2 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 117.702 -1.142 . . . . 0.0 111.084 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -62.06 -36.27 81.14 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-N 120.508 1.504 . . . . 0.0 110.481 -174.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.4 t -58.71 -52.84 55.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -57.81 -51.77 68.2 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.76 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -55.15 -46.3 75.7 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 118.616 0.644 . . . . 0.0 111.325 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.8 mt -68.35 -51.01 49.2 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-O 118.44 -0.79 . . . . 0.0 110.016 -172.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 pp -62.21 -34.06 75.74 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 119.89 1.223 . . . . 0.0 109.272 177.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.63 -32.9 73.91 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.343 0.974 . . . . 0.0 110.605 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -52.95 -43.15 66.11 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.469 1.032 . . . . 0.0 109.025 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.41 -46.25 33.97 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 172.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.03 -37.65 16.62 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-O 118.433 -1.204 . . . . 0.0 114.072 -175.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt . . . . . 0 C--N 1.353 0.721 0 CA-C-N 119.681 1.74 . . . . 0.0 109.085 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.397 -1.287 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.7 mtm -51.13 -50.94 57.9 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 120.872 1.669 . . . . 0.0 108.383 174.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -59.15 -59.16 5.91 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.317 -0.849 . . . . 0.0 111.527 -173.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -66.06 -39.49 90.14 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.424 1.011 . . . . 0.0 110.934 -172.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.6 mm -72.79 -45.51 56.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-N 119.255 0.934 . . . . 0.0 108.59 -174.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -61.25 -48.21 82.52 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -49.61 -51.77 35.12 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.245 175.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -54.61 -46.81 73.89 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.178 0.899 . . . . 0.0 109.27 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -67.22 -60.22 2.78 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.233 -172.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -69.86 -36.99 75.98 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.528 -1.225 . . . . 0.0 111.505 -173.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.88 -52.47 60.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 121.244 1.838 . . . . 0.0 108.191 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -58.13 -47.74 82.38 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.316 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -60.68 -48.02 83.65 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 118.458 -0.782 . . . . 0.0 111.109 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.7 mt -56.86 -55.15 38.17 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 118.867 0.758 . . . . 0.0 109.386 -175.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.79 -32.02 73.1 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.818 -1.087 . . . . 0.0 110.377 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.49 35.25 1.84 Allowed 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.302 0.956 . . . . 0.0 110.782 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -86.01 -57.16 3.14 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 tptp -74.73 -40.72 61.11 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 174.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.91 -50.05 27.7 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-O 118.536 -1.147 . . . . 0.0 112.026 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.0 pttt . . . . . 0 C--N 1.353 0.757 0 CA-C-N 118.89 1.345 . . . . 0.0 109.579 -179.309 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.533 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.413 ' SD ' ' C ' ' A' ' 14' ' ' MET . 13.1 tmm? -147.98 -65.15 0.25 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-O 118.183 -0.913 . . . . 0.0 108.946 -176.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.69 -43.82 95.5 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 172.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.55 -47.67 84.46 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.241 178.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 mm -60.31 -50.9 78.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.0 m170 -56.5 -42.02 77.65 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 118.948 -0.548 . . . . 0.0 109.686 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -57.52 -54.65 44.39 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -60.8 -38.53 85.67 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -178.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -60.18 -60.92 3.05 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.477 -1.249 . . . . 0.0 110.083 -176.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -67.78 -36.16 79.97 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.343 1.429 . . . . 0.0 111.24 -174.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.28 -59.28 4.33 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 120.944 1.702 . . . . 0.0 108.258 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -59.59 -45.1 92.89 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.208 -176.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -63.3 -55.61 23.26 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 117.698 -1.144 . . . . 0.0 110.029 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.5 mt -45.52 -61.18 1.79 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.567 1.076 . . . . 0.0 110.751 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.56 -34.45 76.97 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.184 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.61 -25.74 64.1 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.035 -1.459 . . . . 0.0 111.7 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -58.88 -31.25 68.4 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 121.049 1.75 . . . . 0.0 111.163 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -64.88 -52.17 58.0 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 174.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -50.81 -36.02 32.35 Favored Glycine 0 C--N 1.354 1.528 0 CA-C-O 118.566 -1.13 . . . . 0.0 111.797 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tppm? . . . . . 0 C--N 1.353 0.755 0 CA-C-N 118.774 1.287 . . . . 0.0 107.564 179.34 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.59 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 38.3 mmt -67.0 -35.94 81.07 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 117.706 -1.14 . . . . 0.0 111.577 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -60.62 -44.0 96.84 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 120.694 1.588 . . . . 0.0 108.659 177.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.7 -49.21 76.0 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.024 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.4 mm -59.18 -49.06 84.73 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -54.11 -44.55 71.37 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.893 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -55.06 -57.6 11.07 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.432 -0.907 . . . . 0.0 109.279 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -56.82 -40.03 75.26 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.568 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -61.99 -62.76 1.56 Allowed 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.553 -1.213 . . . . 0.0 110.38 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -66.16 -37.37 85.49 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 120.768 1.622 . . . . 0.0 111.093 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.4 t -58.18 -58.96 4.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 CA-C-N 120.164 1.347 . . . . 0.0 108.059 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -66.91 -49.34 65.86 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.731 -174.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -52.2 -49.64 63.5 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 118.852 0.751 . . . . 0.0 111.636 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.14 -51.95 58.14 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 119.503 -0.879 . . . . 0.0 109.897 -171.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -61.21 -34.73 75.58 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.065 1.302 . . . . 0.0 110.152 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.04 -17.74 60.44 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.699 -1.143 . . . . 0.0 111.913 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -56.98 -58.19 9.26 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.239 1.382 . . . . 0.0 108.807 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -24.21 67.38 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.226 0.921 . . . . 0.0 110.032 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -41.78 -43.82 4.24 Favored Glycine 0 C--N 1.355 1.622 0 CA-C-O 117.79 -1.561 . . . . 0.0 112.251 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt . . . . . 0 C--N 1.355 0.835 0 CA-C-N 119.821 1.81 . . . . 0.0 108.973 179.406 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.609 0 CA-C-O 118.229 -0.891 . . . . 0.0 109.147 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.41 ' SD ' ' C ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -52.94 -36.91 60.44 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.211 0.914 . . . . 0.0 110.286 -176.32 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.5 -44.76 89.92 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.358 0.981 . . . . 0.0 110.126 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.96 -43.11 79.77 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.706 -177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -63.6 -47.18 92.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -59.45 -51.73 68.65 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -44.89 -49.94 10.68 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 118.411 0.551 . . . . 0.0 110.749 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -75.4 -44.15 46.25 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.051 -177.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.28 -58.57 5.61 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 117.423 -1.275 . . . . 0.0 111.617 -172.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -57.41 -38.16 73.88 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 121.191 1.814 . . . . 0.0 110.086 -177.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.6 t -56.76 -49.46 78.34 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 CA-C-N 119.112 0.869 . . . . 0.0 109.392 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -59.86 -46.53 88.98 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.738 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -61.37 -52.92 62.6 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.531 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.9 mt -55.74 -38.84 70.31 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 117.991 -1.004 . . . . 0.0 111.71 -172.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 pp -80.36 -35.57 35.25 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.282 0.946 . . . . 0.0 111.25 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.6 -51.81 8.8 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 119.639 1.108 . . . . 0.0 111.886 -172.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 65.5 -124.63 0.36 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-O 115.932 -1.985 . . . . 0.0 109.156 173.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -47.61 -40.14 18.65 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 122.737 2.517 . . . . 0.0 109.107 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.26 -45.57 35.05 Favored Glycine 0 C--N 1.351 1.373 0 C-N-CA 119.624 -1.275 . . . . 0.0 111.724 177.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? . . . . . 0 C--N 1.354 0.775 0 CA-C-N 118.902 1.351 . . . . 0.0 108.925 -179.838 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.493 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -55.57 -38.61 69.59 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 118.607 -0.711 . . . . 0.0 110.846 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.99 -53.02 61.45 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.417 -0.913 . . . . 0.0 108.948 -177.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -65.54 -49.56 68.46 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.458 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.4 mm -65.25 -46.43 90.74 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 C-N-CA 119.709 -0.797 . . . . 0.0 108.869 -173.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -64.06 -52.04 61.23 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.36 -176.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -56.9 -48.9 77.11 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.518 1.054 . . . . 0.0 111.065 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.93 -35.73 82.11 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 118.886 -1.126 . . . . 0.0 108.97 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -64.88 -63.11 1.2 Allowed 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.907 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -69.16 -34.58 75.2 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 120.02 1.282 . . . . 0.0 111.862 -170.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.6 t -65.36 -51.63 61.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -56.51 -47.45 79.31 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 119.457 -0.897 . . . . 0.0 109.977 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -54.09 -46.5 72.08 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.791 -176.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.3 mt -71.21 -52.09 21.05 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.559 -0.857 . . . . 0.0 109.698 -173.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -59.46 -30.84 68.8 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.988 1.267 . . . . 0.0 110.541 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.63 -40.29 66.55 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.4 1.0 . . . . 0.0 110.202 177.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -50.16 -58.3 5.87 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 118.825 -0.607 . . . . 0.0 109.506 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.81 -42.0 77.89 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 176.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -35.74 -43.73 0.62 Allowed Glycine 0 C--N 1.354 1.555 0 CA-C-O 117.766 -1.575 . . . . 0.0 113.874 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt . . . . . 0 C--N 1.355 0.843 0 CA-C-N 120.226 2.013 . . . . 0.0 108.121 -179.126 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -66.94 -39.41 87.29 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 120.52 1.509 . . . . 0.0 108.718 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -67.19 -32.86 74.22 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.365 -0.826 . . . . 0.0 109.951 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -61.95 -44.31 97.03 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.345 0.975 . . . . 0.0 109.468 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.4 mm -68.85 -40.64 81.51 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -54.28 -48.73 70.92 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.311 1.414 . . . . 0.0 108.189 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.46 -56.52 14.53 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -50.68 -51.07 52.78 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 119.279 -0.968 . . . . 0.0 109.041 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.88 -71.4 0.15 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.527 -1.225 . . . . 0.0 111.278 -175.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -59.24 -29.48 67.57 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 121.271 1.85 . . . . 0.0 112.156 -170.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.0 -65.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-N 120.12 1.327 . . . . 0.0 108.468 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 25' ' ' TRP . 52.6 p-10 -66.51 -41.69 88.46 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.589 1.086 . . . . 0.0 111.546 -173.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.435 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 20.6 t90 -61.06 -49.84 75.73 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.385 -175.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.1 mt -76.77 -41.41 44.86 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 119.31 -0.956 . . . . 0.0 111.465 -170.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -57.96 -36.52 72.69 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 120.144 1.338 . . . . 0.0 108.941 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.59 -42.02 68.27 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.877 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -49.04 -49.8 39.45 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 118.811 0.732 . . . . 0.0 109.557 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -70.79 -44.32 66.85 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 119.777 -0.769 . . . . 0.0 109.047 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.66 -30.48 27.94 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-O 118.498 -1.168 . . . . 0.0 112.537 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt . . . . . 0 C--N 1.353 0.741 0 CA-C-N 119.309 1.555 . . . . 0.0 109.421 177.461 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.396 0 CA-C-O 117.941 -1.028 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.5 ptm -53.71 -35.69 61.43 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.221 1.373 . . . . 0.0 110.993 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.64 -47.0 77.07 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 119.452 -0.899 . . . . 0.0 108.781 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -59.41 -54.74 43.26 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.371 -0.932 . . . . 0.0 110.052 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.6 mm -70.31 -46.15 72.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 118.174 -0.917 . . . . 0.0 109.833 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -59.49 -50.01 75.59 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 119.914 1.233 . . . . 0.0 108.593 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -53.78 -54.9 31.71 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.369 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -51.09 -46.15 61.72 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.601 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -68.19 -60.47 2.45 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 117.752 -1.118 . . . . 0.0 111.206 -173.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -62.97 -37.76 88.42 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 120.461 1.482 . . . . 0.0 110.56 -175.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.6 -51.07 77.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-N 119.838 1.199 . . . . 0.0 108.223 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.58 -48.64 80.86 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.153 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -55.01 -50.02 70.07 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.944 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.7 mt -64.06 -51.45 64.06 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.477 -171.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -61.75 -36.12 80.08 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 119.811 1.187 . . . . 0.0 109.871 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.13 -23.07 60.44 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.895 -1.05 . . . . 0.0 111.851 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -53.83 -57.11 12.09 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.693 1.133 . . . . 0.0 108.801 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.76 -24.57 66.91 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.194 0.906 . . . . 0.0 111.488 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.28 -27.97 53.86 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 118.011 -1.438 . . . . 0.0 111.736 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.7 pttt . . . . . 0 C--N 1.355 0.829 0 CA-C-N 120.088 1.944 . . . . 0.0 109.698 178.643 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.43 0 CA-C-O 119.452 -0.309 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.2 mtm -149.79 -58.51 0.2 Allowed 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.198 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -56.3 -41.95 76.77 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.682 1.128 . . . . 0.0 110.433 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -63.66 -43.5 96.56 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.521 1.055 . . . . 0.0 108.512 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.4 mm -59.25 -37.37 68.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -66.58 -48.45 69.57 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 119.513 1.052 . . . . 0.0 108.555 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -49.45 -44.28 45.51 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -69.87 -45.66 67.21 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 119.97 -0.692 . . . . 0.0 109.877 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -65.79 -60.77 2.54 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.466 -1.254 . . . . 0.0 111.299 -174.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -62.26 -38.7 90.28 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.819 1.645 . . . . 0.0 110.649 -174.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.66 -55.88 20.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 119.803 1.183 . . . . 0.0 108.312 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.67 -48.32 82.14 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.096 -175.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 17.7 t90 -54.48 -48.0 72.31 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.383 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.51 -50.4 38.18 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.998 -171.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.01 -34.07 72.84 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.866 1.212 . . . . 0.0 109.943 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.61 -28.13 60.76 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.348 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -55.96 -44.57 78.61 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.94 1.245 . . . . 0.0 108.881 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -79.04 -49.75 12.17 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -45.75 -41.4 9.94 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 118.565 -1.131 . . . . 0.0 113.913 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt . . . . . 0 C--N 1.352 0.677 0 CA-C-N 119.309 1.555 . . . . 0.0 108.704 -179.809 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.543 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.3 ttp -164.6 -57.11 0.03 OUTLIER 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.852 -0.594 . . . . 0.0 110.289 -176.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.32 -49.61 71.08 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -56.34 -47.61 78.44 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 174.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.0 mm -54.46 -43.34 63.16 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -175.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -61.76 -60.51 3.54 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 119.577 1.08 . . . . 0.0 109.326 -178.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -59.16 -52.67 64.7 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.079 0.854 . . . . 0.0 109.615 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -48.52 -51.05 29.35 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-O 119.048 -0.501 . . . . 0.0 110.698 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.73 -58.48 3.44 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.717 -1.135 . . . . 0.0 110.919 -172.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -63.14 -40.43 97.55 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.287 1.403 . . . . 0.0 110.388 -174.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.0 t -61.8 -56.69 16.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-N 120.6 1.545 . . . . 0.0 108.063 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -52.56 -46.13 66.69 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.634 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -61.28 -48.57 80.81 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.338 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.3 mt -57.96 -56.62 19.66 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 119.205 0.911 . . . . 0.0 109.012 -176.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 pp -62.27 -35.19 78.23 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.694 -1.146 . . . . 0.0 110.664 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.38 49.25 0.85 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.716 1.144 . . . . 0.0 109.167 176.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -85.36 143.75 28.45 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.51 52.98 12.31 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -95.5 -57.73 1.17 Allowed Glycine 0 C--N 1.354 1.531 0 CA-C-O 118.222 -1.321 . . . . 0.0 109.824 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.356 0.877 0 CA-C-N 117.856 0.828 . . . . 0.0 112.841 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.522 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -54.67 -33.89 61.46 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.075 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -56.03 -52.5 64.03 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.337 0.972 . . . . 0.0 108.697 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -61.58 -49.83 75.07 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.14 -177.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.5 mm -63.87 -53.01 49.62 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 C-N-CA 119.552 -0.859 . . . . 0.0 108.993 -173.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -64.85 -53.28 49.21 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.858 -0.591 . . . . 0.0 109.421 -174.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -52.3 -51.22 59.83 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -57.62 -49.26 77.01 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.95 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.55 -62.96 1.17 Allowed 'General case' 0 C--N 1.352 0.697 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.349 -172.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -60.57 -31.01 70.16 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.704 1.138 . . . . 0.0 111.207 -173.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.0 t -60.96 -62.21 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 120.53 1.514 . . . . 0.0 108.441 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -56.39 -45.34 80.65 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.114 0.87 . . . . 0.0 110.663 -177.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -63.13 -58.74 6.22 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 119.399 -0.92 . . . . 0.0 110.903 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.6 mt -56.33 -42.01 77.0 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.284 -168.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 pp -72.08 -36.39 69.5 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.228 0.922 . . . . 0.0 111.068 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.59 -47.64 18.87 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.811 1.187 . . . . 0.0 112.563 -174.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 56.07 49.1 16.29 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -172.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -164.8 -57.33 0.03 OUTLIER 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.048 -0.977 . . . . 0.0 111.274 -177.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.86 -50.27 51.01 Favored Glycine 0 C--N 1.355 1.63 0 CA-C-N 119.905 1.229 . . . . 0.0 111.064 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.0 tttp . . . . . 0 C--N 1.352 0.716 0 CA-C-N 118.171 0.986 . . . . 0.0 109.197 177.542 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.459 0 CA-C-O 116.669 -1.634 . . . . 0.0 113.279 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -32.81 63.9 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 122.121 2.237 . . . . 0.0 109.075 177.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -60.48 -47.07 87.73 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.122 -0.942 . . . . 0.0 108.51 176.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -61.78 -46.38 89.8 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.339 0.972 . . . . 0.0 109.734 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.9 mm -57.29 -46.69 85.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -178.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -64.73 -47.81 76.91 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -49.05 -55.98 10.41 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 118.582 0.628 . . . . 0.0 109.609 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.77 -46.91 87.53 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.52 -62.76 1.29 Allowed 'General case' 0 C--N 1.351 0.653 0 CA-C-O 116.642 -1.647 . . . . 0.0 111.749 -171.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -58.1 -36.91 73.56 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 121.796 2.089 . . . . 0.0 111.111 -175.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -59.19 -54.27 36.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-N 120.203 1.365 . . . . 0.0 107.786 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -63.4 -39.72 95.27 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 120.574 -0.451 . . . . 0.0 111.265 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.441 ' CE2' ' NE2' ' A' ' 29' ' ' GLN . 89.2 t90 -70.26 -51.21 32.31 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 118.587 -0.721 . . . . 0.0 109.557 -175.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.1 mt -51.66 -56.09 15.63 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.86 -34.56 78.67 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.585 -177.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.11 -1.82 34.34 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 116.133 -1.889 . . . . 0.0 112.573 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.441 ' NE2' ' CE2' ' A' ' 25' ' ' TRP . 31.6 mm-40 -61.01 -44.11 97.89 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 122.314 2.325 . . . . 0.0 109.785 176.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -55.87 -48.92 74.7 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 174.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.52 -34.81 60.44 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.701 176.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.1 tttm . . . . . 0 C--N 1.352 0.707 0 CA-C-N 119.397 1.599 . . . . 0.0 108.733 -178.793 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.54 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -41.67 -31.33 0.28 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.693 1.588 . . . . 0.0 113.323 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -49.58 -44.29 46.8 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 120.652 1.569 . . . . 0.0 110.325 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -60.04 -46.37 89.73 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 175.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.7 mm -58.64 -32.31 45.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-O 118.21 -0.9 . . . . 0.0 109.044 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -64.33 -46.65 82.58 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 120.2 1.364 . . . . 0.0 107.607 177.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -56.97 -54.03 51.36 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.698 -0.801 . . . . 0.0 108.988 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -50.28 -44.51 53.88 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 120.221 -0.592 . . . . 0.0 109.652 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -67.63 -65.45 0.69 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.27 -1.348 . . . . 0.0 110.64 -175.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -61.92 -38.85 89.98 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 121.484 1.947 . . . . 0.0 110.464 -173.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.68 -56.26 18.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 CA-C-N 119.991 1.269 . . . . 0.0 108.905 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -67.21 -49.97 62.6 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.36 -174.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.8 t90 -49.38 -47.42 47.66 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 118.415 -0.802 . . . . 0.0 112.587 -177.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.8 mt -68.67 -56.12 9.2 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.432 -0.907 . . . . 0.0 109.169 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 pp -61.57 -26.37 67.91 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.662 -1.161 . . . . 0.0 110.924 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.96 -42.95 46.93 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.94 1.245 . . . . 0.0 109.223 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -58.0 -57.27 13.53 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -62.32 -44.12 97.24 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.33 -50.86 5.47 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-O 117.904 -1.498 . . . . 0.0 113.367 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 pttp . . . . . 0 C--N 1.355 0.811 0 CA-C-N 120.073 1.936 . . . . 0.0 107.576 -179.104 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.578 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.9 ptm -48.66 -36.94 17.07 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-O 117.733 -1.127 . . . . 0.0 112.484 -177.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -67.75 -53.17 29.4 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 120.363 1.438 . . . . 0.0 108.442 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -52.07 -48.19 64.78 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 118.997 0.817 . . . . 0.0 110.377 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.1 mm -73.11 -44.38 56.4 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.388 -172.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -63.96 -53.3 52.44 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 119.802 1.183 . . . . 0.0 108.044 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -49.18 -57.69 6.28 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -53.18 -46.34 68.92 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 119.165 -0.445 . . . . 0.0 111.467 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -76.5 -56.75 4.34 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 117.835 -1.079 . . . . 0.0 111.315 -169.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -65.67 -37.93 87.86 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 120.426 1.466 . . . . 0.0 109.574 -175.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.1 t -54.53 -47.36 71.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 120.513 1.506 . . . . 0.0 107.514 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -62.51 -38.28 89.32 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.45 -0.786 . . . . 0.0 111.73 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -69.26 -47.03 65.83 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.142 1.337 . . . . 0.0 110.904 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -55.25 -52.93 61.83 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.52 -36.49 78.51 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.98 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.82 24.99 3.82 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.539 1.063 . . . . 0.0 112.45 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 30' ' ' LYS . 19.2 tt0 -78.57 -34.05 47.25 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.167 -1.396 . . . . 0.0 109.673 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -24.0 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.358 0.937 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -179.141 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.42 19.69 1.88 Allowed Glycine 0 C--N 1.354 1.575 0 CA-C-O 116.146 -2.474 . . . . 0.0 114.136 178.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? . . . . . 0 C--N 1.36 1.04 0 CA-C-N 121.389 2.594 . . . . 0.0 107.227 179.372 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 . . . . . 0 CA--C 1.51 -0.594 0 CA-C-O 118.579 -0.724 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.72 50.64 1.4 Allowed 'General case' 0 C--N 1.355 0.817 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 173.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.6 148.31 51.58 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 117.932 -1.032 . . . . 0.0 108.22 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.56 -45.79 1.26 Allowed Glycine 0 C--N 1.355 1.622 0 N-CA-C 107.429 -2.268 . . . . 0.0 107.429 -171.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.3 p -99.82 28.76 4.54 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-O 118.087 -0.958 . . . . 0.0 110.481 175.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -88.43 63.53 7.11 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.3 mt -95.68 -56.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 N-CA-C 107.67 -1.234 . . . . 0.0 107.67 -175.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.0 m -65.3 -51.14 62.62 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 10.2 t70 -165.64 -74.71 0.03 OUTLIER 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.248 -0.882 . . . . 0.0 109.634 -178.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.429 ' CG ' ' O ' ' A' ' 9' ' ' ASP . 56.0 m-85 -169.15 -56.61 0.02 OUTLIER 'General case' 0 C--N 1.354 0.777 0 CA-C-N 119.088 0.858 . . . . 0.0 109.487 -176.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -146.08 55.95 1.18 Allowed 'General case' 0 C--N 1.355 0.83 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.8 mt -119.81 -63.38 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.899 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.98 -40.31 65.38 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 174.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -62.79 -59.84 4.31 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.198 -0.906 . . . . 0.0 109.435 -175.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -58.35 -42.22 86.43 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 120.121 1.328 . . . . 0.0 111.043 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -67.31 -57.61 6.33 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.169 0.895 . . . . 0.0 109.38 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.0 mm -61.57 -37.78 78.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.143 -175.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -64.45 -50.0 69.24 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -53.49 -57.93 8.94 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -48.1 -51.58 23.99 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 118.44 0.564 . . . . 0.0 110.568 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -67.47 -63.64 1.02 Allowed 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 117.537 -1.221 . . . . 0.0 110.73 -170.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -59.66 -37.97 80.18 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 120.6 1.545 . . . . 0.0 110.244 -174.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.72 -52.98 53.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 CA-C-N 120.205 1.366 . . . . 0.0 108.374 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -55.97 -50.36 71.03 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.659 -0.816 . . . . 0.0 110.043 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.3 t90 -55.07 -44.79 75.14 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-O 118.413 -0.803 . . . . 0.0 111.622 -176.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.9 mt -69.02 -53.33 21.09 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 118.952 0.796 . . . . 0.0 109.808 -174.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 pp -61.66 -37.03 82.54 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.656 1.116 . . . . 0.0 109.875 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.66 81.22 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.506 -0.759 . . . . 0.0 110.331 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -50.27 -43.18 53.22 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 118.778 0.717 . . . . 0.0 109.299 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -75.26 -58.44 3.28 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.42 -53.11 5.1 Favored Glycine 0 C--N 1.353 1.506 0 CA-C-O 119.117 -0.824 . . . . 0.0 113.925 -173.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -53.11 -34.9 58.74 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 117.829 -1.081 . . . . 0.0 111.058 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -46.41 -46.09 18.41 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.788 1.176 . . . . 0.0 109.379 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -62.61 -54.69 35.88 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 118.208 -0.901 . . . . 0.0 108.728 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -92.88 49.9 1.5 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-N 118.937 0.79 . . . . 0.0 110.984 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -162.79 -60.95 0.04 OUTLIER 'General case' 0 C--N 1.354 0.803 0 CA-C-O 118.371 -0.824 . . . . 0.0 108.841 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -81.25 -53.52 6.28 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 176.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -104.76 44.25 1.04 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-N 118.612 0.642 . . . . 0.0 109.758 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -72.16 -38.11 69.22 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.0 tt -45.36 -28.99 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.879 0 CA-C-O 117.981 -1.009 . . . . 0.0 111.892 173.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.288 9.7 t 55.63 64.99 1.58 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 119.479 1.036 . . . . 0.0 109.961 178.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--N 1.356 0.859 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.445 -178.925 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 CA--C 1.505 -0.77 0 CA-C-O 117.87 -1.062 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.31 -51.25 70.57 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -54.76 143.36 25.65 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.922 -1.037 . . . . 0.0 109.385 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.24 -67.32 3.64 Favored Glycine 0 C--N 1.356 1.643 0 CA-C-N 119.44 1.018 . . . . 0.0 110.76 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.3 p -60.32 -37.97 82.26 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 118.395 1.098 . . . . 0.0 110.938 -174.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -52.51 -38.07 58.77 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.187 0.903 . . . . 0.0 110.775 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.5 -52.52 25.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -173.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.3 t -72.91 -86.04 0.03 OUTLIER 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.378 -1.296 . . . . 0.0 108.11 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -163.47 52.8 0.16 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.856 1.662 . . . . 0.0 110.061 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 52.01 -96.18 0.05 OUTLIER 'General case' 0 C--N 1.353 0.743 0 CA-C-O 116.546 -1.692 . . . . 0.0 110.069 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 m -150.49 49.91 0.88 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-N 122.021 2.192 . . . . 0.0 110.971 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.8 mt -127.86 -71.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.94 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.9 63.21 5.94 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 171.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.6 ttp -165.34 -61.18 0.03 OUTLIER 'General case' 0 C--N 1.353 0.736 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -177.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.71 -44.48 73.8 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -57.22 -43.35 82.75 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.9 mm -68.03 -53.59 28.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -175.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -56.04 -46.36 78.9 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -47.31 -57.97 4.64 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.78 -0.628 . . . . 0.0 110.611 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -73.39 -34.93 65.8 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.399 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.56 -60.82 3.2 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 117.702 -1.142 . . . . 0.0 111.084 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -62.06 -36.27 81.14 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-N 120.508 1.504 . . . . 0.0 110.481 -174.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.4 t -58.71 -52.84 55.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -57.81 -51.77 68.2 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.76 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -55.15 -46.3 75.7 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 118.616 0.644 . . . . 0.0 111.325 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.8 mt -68.35 -51.01 49.2 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-O 118.44 -0.79 . . . . 0.0 110.016 -172.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 pp -62.21 -34.06 75.74 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 119.89 1.223 . . . . 0.0 109.272 177.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.63 -32.9 73.91 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.343 0.974 . . . . 0.0 110.605 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -52.95 -43.15 66.11 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 119.469 1.032 . . . . 0.0 109.025 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.41 -46.25 33.97 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 172.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.03 -37.65 16.62 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-O 118.433 -1.204 . . . . 0.0 114.072 -175.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -65.8 -33.22 75.36 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.681 1.74 . . . . 0.0 109.085 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -62.06 -50.83 70.43 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 106.1 -1.815 . . . . 0.0 106.1 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -57.88 -29.2 64.85 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.4 -1.286 . . . . 0.0 112.391 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -132.35 41.74 3.18 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 119.834 1.197 . . . . 0.0 111.606 -176.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -156.78 -68.45 0.1 Allowed 'General case' 0 C--N 1.353 0.741 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 172.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -51.93 66.67 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 105.287 -2.116 . . . . 0.0 105.287 177.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -61.48 -40.15 93.5 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.17 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -59.48 -19.13 45.5 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 117.394 -1.289 . . . . 0.0 111.92 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.3 mt -56.74 -59.16 3.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 174.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 t -65.23 -37.63 87.87 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.073 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 C--N 1.355 0.808 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 177.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 . . . . . 0 CA--C 1.508 -0.67 0 CA-C-O 118.111 -0.947 . . . . 0.0 108.632 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.67 -46.65 74.08 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 173.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -54.49 143.55 23.81 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.926 -1.035 . . . . 0.0 109.238 178.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.08 -68.98 3.01 Favored Glycine 0 C--N 1.353 1.521 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.3 p -57.06 -32.53 66.33 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 117.341 -1.314 . . . . 0.0 111.129 -176.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -53.37 -38.12 63.04 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 120.698 1.59 . . . . 0.0 109.889 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.6 mt -60.69 -48.52 88.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.6 t -67.95 -102.34 0.0 OUTLIER 'General case' 0 C--N 1.354 0.787 0 CA-C-O 116.628 -1.653 . . . . 0.0 107.445 172.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -162.73 58.39 0.21 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 122.198 2.272 . . . . 0.0 110.973 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 58.06 -105.81 0.28 Allowed 'General case' 0 C--N 1.353 0.755 0 CA-C-O 116.55 -1.69 . . . . 0.0 113.74 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.9 m -159.32 -65.05 0.08 Allowed 'General case' 0 C--N 1.356 0.851 0 CA-C-N 122.113 2.233 . . . . 0.0 111.318 -174.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.5 mm -68.27 -42.34 84.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 N-CA-C 105.534 -2.024 . . . . 0.0 105.534 173.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.3 -43.7 83.46 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.397 -1.287 . . . . 0.0 109.495 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.7 mtm -51.13 -50.94 57.9 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-N 120.872 1.669 . . . . 0.0 108.383 174.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -59.15 -59.16 5.91 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.317 -0.849 . . . . 0.0 111.527 -173.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -66.06 -39.49 90.14 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 119.424 1.011 . . . . 0.0 110.934 -172.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.6 mm -72.79 -45.51 56.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-N 119.255 0.934 . . . . 0.0 108.59 -174.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -61.25 -48.21 82.52 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -49.61 -51.77 35.12 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.245 175.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -54.61 -46.81 73.89 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.178 0.899 . . . . 0.0 109.27 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -67.22 -60.22 2.78 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.233 -172.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -69.86 -36.99 75.98 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.528 -1.225 . . . . 0.0 111.505 -173.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.88 -52.47 60.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 121.244 1.838 . . . . 0.0 108.191 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -58.13 -47.74 82.38 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 119.48 -0.888 . . . . 0.0 110.316 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -60.68 -48.02 83.65 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-O 118.458 -0.782 . . . . 0.0 111.109 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.7 mt -56.86 -55.15 38.17 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 118.867 0.758 . . . . 0.0 109.386 -175.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.79 -32.02 73.1 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.818 -1.087 . . . . 0.0 110.377 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.49 35.25 1.84 Allowed 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.302 0.956 . . . . 0.0 110.782 176.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -86.01 -57.16 3.14 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 tptp -74.73 -40.72 61.11 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 174.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -48.91 -50.05 27.7 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-O 118.536 -1.147 . . . . 0.0 112.026 -177.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -62.77 -44.06 97.19 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 118.89 1.345 . . . . 0.0 109.579 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -53.76 -51.43 63.43 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.761 1.164 . . . . 0.0 108.777 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -62.44 -41.12 98.5 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.162 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -112.84 45.6 1.32 Allowed 'General case' 0 C--N 1.355 0.83 0 CA-C-N 118.612 0.642 . . . . 0.0 110.499 -174.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -168.46 -59.71 0.02 OUTLIER 'General case' 0 C--N 1.354 0.784 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -89.47 75.75 7.55 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -136.7 45.14 2.31 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -80.18 -53.83 6.31 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.3 tt -65.12 150.69 10.47 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-O 117.585 -1.198 . . . . 0.0 108.245 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.7 t -55.35 122.95 12.29 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 . . . . . 0 C--N 1.353 0.741 0 CA-C-N 119.87 1.214 . . . . 0.0 109.791 -173.331 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 . . . . . 0 CA--C 1.512 -0.495 0 CA-C-O 119.21 -0.424 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.0 104.51 0.72 Allowed 'General case' 0 C--N 1.354 0.77 0 CA-C-O 118.238 -0.887 . . . . 0.0 108.838 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -73.65 146.72 44.34 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 119.575 1.08 . . . . 0.0 109.314 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.35 -39.5 3.0 Favored Glycine 0 C--N 1.357 1.735 0 CA-C-N 119.556 1.071 . . . . 0.0 112.278 177.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.4 p -60.88 -28.44 68.87 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 118.723 1.261 . . . . 0.0 110.96 -178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -55.86 -35.13 66.12 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 121.36 1.891 . . . . 0.0 109.071 177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.2 mt -71.45 -60.56 2.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.0 t -65.49 -58.23 6.32 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 119.429 1.013 . . . . 0.0 110.761 -171.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.52 -45.03 56.17 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-O 118.089 -0.958 . . . . 0.0 112.27 -173.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 72.58 -70.9 0.15 Allowed 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.789 -1.101 . . . . 0.0 109.417 -171.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.0 t -161.83 63.02 0.25 Allowed 'General case' 0 C--N 1.356 0.859 0 CA-C-N 120.458 1.481 . . . . 0.0 110.838 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.4 mm -134.5 -70.65 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.915 0 CA-C-O 117.995 -1.002 . . . . 0.0 108.892 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.01 59.43 0.61 Allowed 'General case' 0 C--N 1.358 0.937 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 175.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.413 ' SD ' ' C ' ' A' ' 14' ' ' MET . 13.1 tmm? -147.98 -65.15 0.25 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-O 118.183 -0.913 . . . . 0.0 108.946 -176.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.69 -43.82 95.5 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 172.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.55 -47.67 84.46 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.241 178.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 mm -60.31 -50.9 78.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.0 m170 -56.5 -42.02 77.65 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 118.948 -0.548 . . . . 0.0 109.686 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -57.52 -54.65 44.39 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -60.8 -38.53 85.67 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -178.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -60.18 -60.92 3.05 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.477 -1.249 . . . . 0.0 110.083 -176.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -67.78 -36.16 79.97 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.343 1.429 . . . . 0.0 111.24 -174.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.28 -59.28 4.33 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 120.944 1.702 . . . . 0.0 108.258 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -59.59 -45.1 92.89 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.208 -176.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -63.3 -55.61 23.26 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 117.698 -1.144 . . . . 0.0 110.029 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.5 mt -45.52 -61.18 1.79 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.567 1.076 . . . . 0.0 110.751 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.56 -34.45 76.97 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.184 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.61 -25.74 64.1 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.035 -1.459 . . . . 0.0 111.7 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -58.88 -31.25 68.4 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 121.049 1.75 . . . . 0.0 111.163 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -64.88 -52.17 58.0 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 174.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -50.81 -36.02 32.35 Favored Glycine 0 C--N 1.354 1.528 0 CA-C-O 118.566 -1.13 . . . . 0.0 111.797 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 tppm? -59.39 -51.0 71.8 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 118.774 1.287 . . . . 0.0 107.564 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -56.6 -44.52 81.17 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 119.426 1.012 . . . . 0.0 109.052 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -62.72 -27.8 69.52 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 118.847 0.749 . . . . 0.0 111.499 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -78.55 13.94 1.44 Allowed 'General case' 0 C--N 1.355 0.822 0 CA-C-N 119.729 1.15 . . . . 0.0 112.555 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -149.2 -62.78 0.23 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 120.76 1.618 . . . . 0.0 109.454 -176.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -59.19 -49.92 76.01 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.684 1.129 . . . . 0.0 109.273 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -79.96 -42.97 22.9 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.066 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -54.4 -50.81 66.69 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 119.187 0.903 . . . . 0.0 109.843 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 41' ' ' THR . 1.7 mp -74.45 148.22 8.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 172.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 40' ' ' ILE . 38.2 m -19.46 114.0 0.02 OUTLIER 'General case' 0 C--N 1.356 0.863 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.355 0.841 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.016 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.53 73.58 6.2 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 172.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -71.2 88.35 0.82 Allowed 'General case' 0 C--N 1.355 0.829 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -174.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.3 -44.32 0.55 Allowed Glycine 0 C--N 1.353 1.524 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 p -59.76 -33.34 71.54 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.812 -1.089 . . . . 0.0 111.006 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -57.8 -32.26 67.38 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 120.015 1.279 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.8 mt -57.2 -51.74 65.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.1 t -66.5 -55.5 15.26 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 118.291 -0.862 . . . . 0.0 109.738 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -156.69 -68.16 0.1 Allowed 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.632 -1.175 . . . . 0.0 111.433 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -155.16 -74.24 0.11 Allowed 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.337 1.426 . . . . 0.0 111.052 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.3 t 172.98 -55.01 0.01 OUTLIER 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.102 0.865 . . . . 0.0 109.768 -173.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.84 -51.07 53.89 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.9 -49.61 62.68 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.91 -0.716 . . . . 0.0 109.46 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 38.3 mmt -67.0 -35.94 81.07 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 117.706 -1.14 . . . . 0.0 111.577 -178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -60.62 -44.0 96.84 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 120.694 1.588 . . . . 0.0 108.659 177.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.7 -49.21 76.0 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.024 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 32.4 mm -59.18 -49.06 84.73 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -54.11 -44.55 71.37 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.893 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -55.06 -57.6 11.07 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 119.432 -0.907 . . . . 0.0 109.279 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -56.82 -40.03 75.26 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.568 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -61.99 -62.76 1.56 Allowed 'General case' 0 C--N 1.353 0.743 0 CA-C-O 117.553 -1.213 . . . . 0.0 110.38 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -66.16 -37.37 85.49 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 120.768 1.622 . . . . 0.0 111.093 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.4 t -58.18 -58.96 4.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 CA-C-N 120.164 1.347 . . . . 0.0 108.059 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -66.91 -49.34 65.86 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.731 -174.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -52.2 -49.64 63.5 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 118.852 0.751 . . . . 0.0 111.636 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.14 -51.95 58.14 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 119.503 -0.879 . . . . 0.0 109.897 -171.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -61.21 -34.73 75.58 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.065 1.302 . . . . 0.0 110.152 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.04 -17.74 60.44 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.699 -1.143 . . . . 0.0 111.913 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -56.98 -58.19 9.26 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.239 1.382 . . . . 0.0 108.807 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -24.21 67.38 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.226 0.921 . . . . 0.0 110.032 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -41.78 -43.82 4.24 Favored Glycine 0 C--N 1.355 1.622 0 CA-C-O 117.79 -1.561 . . . . 0.0 112.251 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -66.15 -45.6 80.41 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 119.821 1.81 . . . . 0.0 108.973 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -47.36 -49.76 23.73 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 120.086 1.312 . . . . 0.0 108.939 -176.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -65.97 -49.49 67.67 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.659 -0.816 . . . . 0.0 109.912 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -93.8 40.44 1.08 Allowed 'General case' 0 C--N 1.355 0.817 0 CA-C-O 118.814 -0.612 . . . . 0.0 112.083 -175.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 72.1 t90 -168.92 -61.37 0.02 OUTLIER 'General case' 0 C--N 1.352 0.687 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.068 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -69.29 -67.5 0.47 Allowed 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -61.42 -38.77 88.31 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.438 1.017 . . . . 0.0 109.057 -176.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -41.74 -38.2 1.39 Allowed 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.565 177.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.9 mm -57.23 -57.59 9.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-N 119.654 1.115 . . . . 0.0 108.575 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 t -67.44 -40.07 85.42 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.941 -1.028 . . . . 0.0 111.004 -175.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 . . . . . 0 C--N 1.354 0.769 0 CA-C-N 119.182 0.901 . . . . 0.0 109.821 -179.851 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 . . . . . 0 CA--C 1.511 -0.54 0 CA-C-O 118.433 -0.794 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.42 66.58 1.48 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -63.08 144.7 56.67 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.584 -1.198 . . . . 0.0 108.568 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.02 -38.92 2.95 Favored Glycine 0 C--N 1.356 1.669 0 CA-C-O 118.344 -1.253 . . . . 0.0 111.913 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.6 p -68.95 -50.31 50.34 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.565 1.682 . . . . 0.0 107.318 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -57.7 -34.59 69.6 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 119.356 -0.938 . . . . 0.0 110.073 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.37 -51.35 73.96 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 t -67.14 -60.66 2.42 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 119.005 0.821 . . . . 0.0 111.866 -176.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -85.05 -27.98 25.99 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.625 -1.179 . . . . 0.0 113.984 -171.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 72.62 -74.68 0.08 Allowed 'General case' 0 C--N 1.352 0.679 0 CA-C-O 117.895 -1.05 . . . . 0.0 109.527 -175.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.5 t -162.18 57.8 0.24 Allowed 'General case' 0 C--N 1.354 0.798 0 CA-C-N 120.388 1.449 . . . . 0.0 111.654 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.3 mt -135.92 -77.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.848 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.55 -45.35 54.08 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.756 1.162 . . . . 0.0 109.147 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.41 ' SD ' ' C ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -52.94 -36.91 60.44 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.211 0.914 . . . . 0.0 110.286 -176.32 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.5 -44.76 89.92 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.358 0.981 . . . . 0.0 110.126 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.96 -43.11 79.77 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.706 -177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -63.6 -47.18 92.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -59.45 -51.73 68.65 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -44.89 -49.94 10.68 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 118.411 0.551 . . . . 0.0 110.749 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -75.4 -44.15 46.25 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 119.943 -0.703 . . . . 0.0 111.051 -177.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.28 -58.57 5.61 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 117.423 -1.275 . . . . 0.0 111.617 -172.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -57.41 -38.16 73.88 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 121.191 1.814 . . . . 0.0 110.086 -177.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.6 t -56.76 -49.46 78.34 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 CA-C-N 119.112 0.869 . . . . 0.0 109.392 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -59.86 -46.53 88.98 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.738 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -61.37 -52.92 62.6 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.531 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.9 mt -55.74 -38.84 70.31 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 117.991 -1.004 . . . . 0.0 111.71 -172.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 pp -80.36 -35.57 35.25 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.282 0.946 . . . . 0.0 111.25 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.6 -51.81 8.8 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 119.639 1.108 . . . . 0.0 111.886 -172.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 65.5 -124.63 0.36 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-O 115.932 -1.985 . . . . 0.0 109.156 173.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -47.61 -40.14 18.65 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 122.737 2.517 . . . . 0.0 109.107 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.26 -45.57 35.05 Favored Glycine 0 C--N 1.351 1.373 0 C-N-CA 119.624 -1.275 . . . . 0.0 111.724 177.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -63.18 -54.49 36.75 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 118.902 1.351 . . . . 0.0 108.925 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -51.3 -55.56 17.67 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -51.49 -40.68 60.02 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.306 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -102.45 38.78 1.62 Allowed 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.003 0.82 . . . . 0.0 110.886 -178.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -164.42 -63.32 0.04 OUTLIER 'General case' 0 C--N 1.356 0.862 0 CA-C-N 119.925 1.239 . . . . 0.0 110.441 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -100.25 92.76 5.35 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 103.272 -2.862 . . . . 0.0 103.272 175.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -159.71 -54.92 0.06 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.885 -1.055 . . . . 0.0 111.55 -174.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -36.3 -38.03 0.14 Allowed 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.585 1.084 . . . . 0.0 113.524 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.78 -56.3 13.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.5 m -63.75 -59.05 5.06 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 107.251 -1.389 . . . . 0.0 107.251 176.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 . . . . . 0 CA--C 1.505 -0.786 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 -177.686 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 CA--C 1.508 -0.672 0 CA-C-O 117.758 -1.115 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.01 -53.71 7.44 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 118.952 0.796 . . . . 0.0 109.194 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -53.51 128.62 29.58 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 117.476 -1.249 . . . . 0.0 108.817 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.41 -51.35 3.35 Favored Glycine 0 C--N 1.356 1.651 0 CA-C-N 119.74 1.154 . . . . 0.0 111.719 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.5 p -70.75 -40.19 72.84 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.215 1.508 . . . . 0.0 108.76 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -55.85 -36.25 67.34 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.172 1.351 . . . . 0.0 108.846 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.69 -53.41 42.51 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.9 t -89.6 -61.92 1.59 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 119.019 0.827 . . . . 0.0 111.812 -172.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -74.77 -26.29 59.65 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.326 -1.321 . . . . 0.0 112.146 -175.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 69.19 -74.61 0.08 Allowed 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.639 1.109 . . . . 0.0 109.852 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.1 m -163.51 -57.6 0.04 OUTLIER 'General case' 0 C--N 1.351 0.646 0 CA-C-N 119.39 0.995 . . . . 0.0 110.842 -177.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.4 mm 78.57 -61.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.72 55.92 0.68 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-N 119.316 0.962 . . . . 0.0 108.484 174.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -55.57 -38.61 69.59 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 118.607 -0.711 . . . . 0.0 110.846 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.99 -53.02 61.45 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.417 -0.913 . . . . 0.0 108.948 -177.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -65.54 -49.56 68.46 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.458 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.4 mm -65.25 -46.43 90.74 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 C-N-CA 119.709 -0.797 . . . . 0.0 108.869 -173.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -64.06 -52.04 61.23 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.36 -176.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -56.9 -48.9 77.11 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.518 1.054 . . . . 0.0 111.065 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.93 -35.73 82.11 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 118.886 -1.126 . . . . 0.0 108.97 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -64.88 -63.11 1.2 Allowed 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.907 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -69.16 -34.58 75.2 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 120.02 1.282 . . . . 0.0 111.862 -170.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.6 t -65.36 -51.63 61.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -56.51 -47.45 79.31 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 119.457 -0.897 . . . . 0.0 109.977 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.7 t90 -54.09 -46.5 72.08 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.791 -176.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.3 mt -71.21 -52.09 21.05 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.559 -0.857 . . . . 0.0 109.698 -173.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -59.46 -30.84 68.8 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.988 1.267 . . . . 0.0 110.541 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.63 -40.29 66.55 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.4 1.0 . . . . 0.0 110.202 177.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -50.16 -58.3 5.87 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 118.825 -0.607 . . . . 0.0 109.506 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.81 -42.0 77.89 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 176.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -35.74 -43.73 0.62 Allowed Glycine 0 C--N 1.354 1.555 0 CA-C-O 117.766 -1.575 . . . . 0.0 113.874 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 36' ' ' TRP . 15.7 ptmt -63.84 -47.72 79.66 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.226 2.013 . . . . 0.0 108.121 -179.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -51.62 -52.05 50.77 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 120.222 1.374 . . . . 0.0 108.448 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -53.8 -39.25 65.31 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.704 -1.141 . . . . 0.0 111.324 -177.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -134.03 49.43 2.26 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 118.937 0.79 . . . . 0.0 111.952 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.422 ' N ' ' O ' ' A' ' 32' ' ' LYS . 3.6 t90 -155.04 -63.13 0.12 Allowed 'General case' 0 C--N 1.354 0.793 0 CA-C-O 118.727 -0.654 . . . . 0.0 109.531 174.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -73.94 -52.19 13.64 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -58.52 -38.71 78.31 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 119.751 -0.78 . . . . 0.0 109.452 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 -58.02 -46.47 85.23 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.736 -0.65 . . . . 0.0 110.622 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.3 mt -58.01 -60.24 2.46 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.263 -176.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.9 t -55.57 -39.73 71.04 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 118.89 -1.124 . . . . 0.0 109.18 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.355 0.814 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 . . . . . 0 CA--C 1.51 -0.566 0 CA-C-O 118.542 -0.742 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.16 82.67 0.08 Allowed 'General case' 0 C--N 1.352 0.709 0 CA-C-N 118.373 0.533 . . . . 0.0 110.784 -174.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -72.7 143.87 47.9 Favored 'General case' 0 C--N 1.356 0.882 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.1 -47.84 1.02 Allowed Glycine 0 C--N 1.355 1.615 0 N-CA-C 108.16 -1.976 . . . . 0.0 108.16 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.3 p -72.47 -41.34 66.15 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.233 1.017 . . . . 0.0 108.264 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -62.06 -41.96 98.7 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 120.036 1.289 . . . . 0.0 109.699 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.63 -56.91 13.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.4 t -50.94 -39.75 55.68 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.359 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -66.11 -45.81 79.84 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.562 -0.733 . . . . 0.0 111.022 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 62.5 -85.49 0.02 OUTLIER 'General case' 0 C--N 1.352 0.681 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -171.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.9 m -148.91 49.11 0.99 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.258 1.39 . . . . 0.0 108.744 175.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 mm -117.87 -70.37 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.927 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.34 24.36 11.08 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.286 176.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -66.94 -39.41 87.29 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 120.52 1.509 . . . . 0.0 108.718 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -67.19 -32.86 74.22 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.365 -0.826 . . . . 0.0 109.951 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -61.95 -44.31 97.03 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 119.345 0.975 . . . . 0.0 109.468 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.4 mm -68.85 -40.64 81.51 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -54.28 -48.73 70.92 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.311 1.414 . . . . 0.0 108.189 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.46 -56.52 14.53 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -50.68 -51.07 52.78 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 119.279 -0.968 . . . . 0.0 109.041 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.88 -71.4 0.15 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.527 -1.225 . . . . 0.0 111.278 -175.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -59.24 -29.48 67.57 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 121.271 1.85 . . . . 0.0 112.156 -170.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.0 -65.76 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-N 120.12 1.327 . . . . 0.0 108.468 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 25' ' ' TRP . 52.6 p-10 -66.51 -41.69 88.46 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.589 1.086 . . . . 0.0 111.546 -173.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.435 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 20.6 t90 -61.06 -49.84 75.73 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.385 -175.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.1 mt -76.77 -41.41 44.86 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 119.31 -0.956 . . . . 0.0 111.465 -170.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -57.96 -36.52 72.69 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 120.144 1.338 . . . . 0.0 108.941 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.59 -42.02 68.27 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.877 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -49.04 -49.8 39.45 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 118.811 0.732 . . . . 0.0 109.557 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -70.79 -44.32 66.85 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 119.777 -0.769 . . . . 0.0 109.047 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.66 -30.48 27.94 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-O 118.498 -1.168 . . . . 0.0 112.537 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -56.61 -43.77 80.49 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.309 1.555 . . . . 0.0 109.421 177.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -64.13 -37.53 87.79 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.507 -0.759 . . . . 0.0 108.99 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -67.61 -40.53 84.71 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-O 117.837 -1.077 . . . . 0.0 110.282 177.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -116.74 44.33 2.06 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 118.917 0.78 . . . . 0.0 112.241 -174.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -161.88 -63.29 0.05 Allowed 'General case' 0 C--N 1.352 0.695 0 CA-C-N 118.99 0.813 . . . . 0.0 109.598 169.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -67.86 -41.02 83.54 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 172.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 73.92 50.02 0.12 Allowed 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -79.59 -51.58 9.1 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 172.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.9 mm -85.1 141.14 14.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.1 t -54.63 163.91 0.84 Allowed 'General case' 0 C--N 1.357 0.918 0 CA-C-N 119.946 1.248 . . . . 0.0 112.786 -173.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 . . . . . 0 C--N 1.353 0.726 0 O-C-N 123.787 0.679 . . . . 0.0 109.943 178.008 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 CA--C 1.509 -0.633 0 CA-C-O 118.434 -0.793 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.98 48.34 1.34 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-O 118.808 -0.615 . . . . 0.0 109.77 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.17 145.48 50.96 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.64 -47.15 1.07 Allowed Glycine 0 C--N 1.354 1.551 0 N-CA-C 108.967 -1.653 . . . . 0.0 108.967 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 t -62.45 -36.17 81.59 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 119.579 1.689 . . . . 0.0 110.55 177.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -70.98 -40.08 72.11 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.04 -0.664 . . . . 0.0 109.3 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.5 mt -75.33 -55.4 11.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.1 m -58.03 -57.64 11.91 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.039 -175.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -160.33 63.61 0.33 Allowed 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.686 -0.806 . . . . 0.0 111.686 -175.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 53.27 -90.92 0.02 OUTLIER 'General case' 0 C--N 1.35 0.596 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 167.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 m -177.68 -53.78 0.01 OUTLIER 'General case' 0 C--N 1.355 0.838 0 CA-C-N 121.132 1.787 . . . . 0.0 111.81 -167.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.3 mt -70.03 -57.82 7.14 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 119.384 0.993 . . . . 0.0 108.754 -175.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.98 12.84 3.75 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 117.941 -1.028 . . . . 0.0 112.27 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.5 ptm -53.71 -35.69 61.43 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.221 1.373 . . . . 0.0 110.993 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.64 -47.0 77.07 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 119.452 -0.899 . . . . 0.0 108.781 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -59.41 -54.74 43.26 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.371 -0.932 . . . . 0.0 110.052 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.6 mm -70.31 -46.15 72.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 118.174 -0.917 . . . . 0.0 109.833 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -59.49 -50.01 75.59 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 119.914 1.233 . . . . 0.0 108.593 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -53.78 -54.9 31.71 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.369 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -51.09 -46.15 61.72 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.601 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -68.19 -60.47 2.45 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 117.752 -1.118 . . . . 0.0 111.206 -173.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -62.97 -37.76 88.42 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 120.461 1.482 . . . . 0.0 110.56 -175.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.6 -51.07 77.37 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-N 119.838 1.199 . . . . 0.0 108.223 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.58 -48.64 80.86 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.153 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -55.01 -50.02 70.07 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.944 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.7 mt -64.06 -51.45 64.06 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.477 -171.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -61.75 -36.12 80.08 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 119.811 1.187 . . . . 0.0 109.871 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.13 -23.07 60.44 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.895 -1.05 . . . . 0.0 111.851 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -53.83 -57.11 12.09 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.693 1.133 . . . . 0.0 108.801 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.76 -24.57 66.91 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.194 0.906 . . . . 0.0 111.488 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.28 -27.97 53.86 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-O 118.011 -1.438 . . . . 0.0 111.736 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.7 pttt -60.95 -34.94 75.52 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.088 1.944 . . . . 0.0 109.698 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -60.67 -55.59 31.45 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -51.95 -42.76 63.13 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 118.355 -0.831 . . . . 0.0 111.016 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -107.23 28.56 7.96 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 118.131 -0.938 . . . . 0.0 113.033 -172.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 90.9 t90 -159.45 -61.55 0.07 Allowed 'General case' 0 C--N 1.354 0.768 0 CA-C-N 119.73 1.15 . . . . 0.0 110.66 172.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -60.31 3.3 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 105.423 -2.065 . . . . 0.0 105.423 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -66.7 -32.53 73.9 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.619 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -48.69 -37.71 19.37 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 119.877 1.217 . . . . 0.0 110.584 177.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.2 mt -58.97 -57.52 10.93 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.1 t -62.32 -34.11 75.99 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.671 -176.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 . . . . . 0 C--N 1.355 0.847 0 CA-C-N 119.315 0.961 . . . . 0.0 109.076 -179.298 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 118.62 -0.705 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.9 70.21 10.85 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -64.11 144.88 56.78 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.731 -1.128 . . . . 0.0 108.168 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.11 -38.03 3.25 Favored Glycine 0 C--N 1.356 1.651 0 CA-C-O 117.979 -1.456 . . . . 0.0 111.474 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.6 p -66.32 -39.54 89.33 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 120.162 1.981 . . . . 0.0 108.864 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -62.72 -26.53 68.73 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 120.132 1.333 . . . . 0.0 110.494 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.0 mt -73.1 -55.43 12.77 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 177.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.3 t -85.57 -61.26 1.8 Allowed 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.623 0.647 . . . . 0.0 111.223 -173.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.35 -27.93 65.77 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.11 -1.424 . . . . 0.0 111.718 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 72.48 -71.35 0.14 Allowed 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -172.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.9 p -177.06 -58.67 0.01 OUTLIER 'General case' 0 C--N 1.351 0.663 0 CA-C-O 117.643 -1.17 . . . . 0.0 112.319 177.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.2 mt 85.39 -60.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.823 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -174.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -154.14 66.74 0.72 Allowed 'General case' 0 C--N 1.355 0.843 0 CA-C-N 119.523 1.056 . . . . 0.0 110.331 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 76.2 mtm -149.79 -58.51 0.2 Allowed 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.198 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -56.3 -41.95 76.77 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.682 1.128 . . . . 0.0 110.433 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -63.66 -43.5 96.56 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 119.521 1.055 . . . . 0.0 108.512 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.4 mm -59.25 -37.37 68.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -66.58 -48.45 69.57 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 119.513 1.052 . . . . 0.0 108.555 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -49.45 -44.28 45.51 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -69.87 -45.66 67.21 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 119.97 -0.692 . . . . 0.0 109.877 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -65.79 -60.77 2.54 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.466 -1.254 . . . . 0.0 111.299 -174.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -62.26 -38.7 90.28 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 120.819 1.645 . . . . 0.0 110.649 -174.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.66 -55.88 20.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 119.803 1.183 . . . . 0.0 108.312 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.67 -48.32 82.14 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.789 -0.765 . . . . 0.0 110.096 -175.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 17.7 t90 -54.48 -48.0 72.31 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-O 118.841 -0.6 . . . . 0.0 111.383 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.51 -50.4 38.18 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.417 -0.801 . . . . 0.0 109.998 -171.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.01 -34.07 72.84 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 119.866 1.212 . . . . 0.0 109.943 176.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.61 -28.13 60.76 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.348 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -55.96 -44.57 78.61 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.94 1.245 . . . . 0.0 108.881 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -79.04 -49.75 12.17 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -45.75 -41.4 9.94 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 118.565 -1.131 . . . . 0.0 113.913 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 36' ' ' TRP . 20.3 ptmt -63.99 -41.26 97.55 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.309 1.555 . . . . 0.0 108.704 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.96 -47.32 83.28 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 176.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -62.43 -28.38 69.76 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 117.396 -1.288 . . . . 0.0 112.285 -178.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -144.71 51.67 1.25 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-N 119.948 1.249 . . . . 0.0 111.696 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' LYS . 5.4 t90 -155.99 -61.25 0.1 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 172.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -68.44 -50.4 52.93 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 171.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -54.04 -46.01 71.79 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 118.783 -0.627 . . . . 0.0 109.906 176.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -78.4 67.7 4.25 Favored 'General case' 0 C--N 1.355 0.848 0 CA-C-N 118.602 0.637 . . . . 0.0 111.133 -176.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 90.2 mt -126.3 -69.14 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.798 0 N-CA-C 104.385 -2.45 . . . . 0.0 104.385 170.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.2 m -66.18 -51.48 57.34 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 167.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.355 0.805 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 . . . . . 0 CA--C 1.508 -0.652 0 CA-C-O 117.894 -1.051 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.37 -45.55 46.02 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 119.153 0.888 . . . . 0.0 109.402 176.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.53 143.61 57.53 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 117.689 -1.148 . . . . 0.0 108.362 177.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.17 -61.69 4.61 Favored Glycine 0 C--N 1.355 1.603 0 CA-C-N 119.97 1.259 . . . . 0.0 110.571 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.7 p -60.84 -37.87 83.53 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 118.746 1.273 . . . . 0.0 110.083 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -52.84 -34.87 56.09 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.213 1.37 . . . . 0.0 110.253 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.447 ' O ' ' CZ ' ' A' ' 10' ' ' TYR . 90.8 mt -61.49 -55.28 25.49 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.2 t -86.26 -56.23 3.54 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.473 1.033 . . . . 0.0 111.741 -175.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.09 -46.06 79.03 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 118.446 -0.788 . . . . 0.0 111.403 -174.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' CZ ' ' O ' ' A' ' 7' ' ' ILE . 77.9 m-85 73.13 -61.18 0.51 Allowed 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.366 -1.302 . . . . 0.0 111.058 -171.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.7 m -145.74 58.19 1.24 Allowed 'General case' 0 C--N 1.357 0.893 0 CA-C-N 120.991 1.723 . . . . 0.0 111.684 -176.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mt -138.54 -64.93 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.913 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 174.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.24 56.47 1.03 Allowed 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 173.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.3 ttp -164.6 -57.11 0.03 OUTLIER 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.852 -0.594 . . . . 0.0 110.289 -176.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.32 -49.61 71.08 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -56.34 -47.61 78.44 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 174.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.0 mm -54.46 -43.34 63.16 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -175.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -61.76 -60.51 3.54 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 119.577 1.08 . . . . 0.0 109.326 -178.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -59.16 -52.67 64.7 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.079 0.854 . . . . 0.0 109.615 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -48.52 -51.05 29.35 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-O 119.048 -0.501 . . . . 0.0 110.698 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.73 -58.48 3.44 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.717 -1.135 . . . . 0.0 110.919 -172.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -63.14 -40.43 97.55 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.287 1.403 . . . . 0.0 110.388 -174.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.0 t -61.8 -56.69 16.12 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-N 120.6 1.545 . . . . 0.0 108.063 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -52.56 -46.13 66.69 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.634 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -61.28 -48.57 80.81 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.338 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.3 mt -57.96 -56.62 19.66 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 119.205 0.911 . . . . 0.0 109.012 -176.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 pp -62.27 -35.19 78.23 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.694 -1.146 . . . . 0.0 110.664 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.38 49.25 0.85 Allowed 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.716 1.144 . . . . 0.0 109.167 176.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -85.36 143.75 28.45 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.51 52.98 12.31 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -95.5 -57.73 1.17 Allowed Glycine 0 C--N 1.354 1.531 0 CA-C-O 118.222 -1.321 . . . . 0.0 109.824 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -32.21 -52.02 0.27 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-N 117.856 0.828 . . . . 0.0 112.841 -177.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -54.97 -57.45 11.63 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 118.969 0.804 . . . . 0.0 109.403 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -63.13 -38.88 92.93 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 117.876 -1.059 . . . . 0.0 111.065 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -99.63 25.61 6.96 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.641 -1.171 . . . . 0.0 112.599 -175.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -161.84 -59.27 0.05 OUTLIER 'General case' 0 C--N 1.356 0.888 0 CA-C-N 120.906 1.684 . . . . 0.0 112.287 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -75.45 -65.78 0.85 Allowed 'General case' 0 C--N 1.356 0.879 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -64.57 -35.39 80.82 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.029 -1.069 . . . . 0.0 109.529 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -41.11 -40.47 1.51 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-N 118.865 0.757 . . . . 0.0 111.413 176.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.64 -58.16 8.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.054 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.8 t -61.79 -40.63 95.9 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.23 1.377 . . . . 0.0 110.84 -177.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--N 1.354 0.791 0 CA-C-N 118.876 0.762 . . . . 0.0 109.471 -178.3 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 . . . . . 0 CA--C 1.507 -0.689 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.765 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.21 -48.82 64.88 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 119.214 0.915 . . . . 0.0 109.716 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -59.19 139.98 56.38 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 117.728 -1.129 . . . . 0.0 108.751 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.39 -63.72 4.37 Favored Glycine 0 C--N 1.355 1.602 0 CA-C-N 119.679 1.127 . . . . 0.0 110.552 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.6 p -61.74 -35.61 78.6 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 118.501 1.151 . . . . 0.0 110.359 -176.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -53.25 -32.8 50.22 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.304 1.411 . . . . 0.0 110.279 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.416 ' O ' ' CZ ' ' A' ' 10' ' ' TYR . 95.1 mt -64.64 -54.52 29.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 t -87.33 -58.7 2.49 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.463 1.029 . . . . 0.0 111.477 -174.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.06 -39.1 89.84 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 118.137 -0.935 . . . . 0.0 111.809 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.416 ' CZ ' ' O ' ' A' ' 7' ' ' ILE . 72.0 m-85 71.79 -75.3 0.08 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.137 -0.935 . . . . 0.0 109.297 -171.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 m -172.97 -54.5 0.02 OUTLIER 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.96 1.255 . . . . 0.0 110.986 -176.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.8 mm 80.02 -62.33 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.887 0 CA-C-O 118.023 -0.989 . . . . 0.0 108.57 -175.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.05 59.5 0.94 Allowed 'General case' 0 C--N 1.356 0.872 0 CA-C-N 119.388 0.995 . . . . 0.0 108.975 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -54.67 -33.89 61.46 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.075 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -56.03 -52.5 64.03 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.337 0.972 . . . . 0.0 108.697 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -61.58 -49.83 75.07 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.14 -177.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.5 mm -63.87 -53.01 49.62 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 C-N-CA 119.552 -0.859 . . . . 0.0 108.993 -173.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -64.85 -53.28 49.21 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.858 -0.591 . . . . 0.0 109.421 -174.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -52.3 -51.22 59.83 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -57.62 -49.26 77.01 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.95 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.55 -62.96 1.17 Allowed 'General case' 0 C--N 1.352 0.697 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.349 -172.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -60.57 -31.01 70.16 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 119.704 1.138 . . . . 0.0 111.207 -173.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.0 t -60.96 -62.21 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.697 0 CA-C-N 120.53 1.514 . . . . 0.0 108.441 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -56.39 -45.34 80.65 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.114 0.87 . . . . 0.0 110.663 -177.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -63.13 -58.74 6.22 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 119.399 -0.92 . . . . 0.0 110.903 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.6 mt -56.33 -42.01 77.0 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.284 -168.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 pp -72.08 -36.39 69.5 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.228 0.922 . . . . 0.0 111.068 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.59 -47.64 18.87 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.811 1.187 . . . . 0.0 112.563 -174.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 56.07 49.1 16.29 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 -172.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -164.8 -57.33 0.03 OUTLIER 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.048 -0.977 . . . . 0.0 111.274 -177.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.86 -50.27 51.01 Favored Glycine 0 C--N 1.355 1.63 0 CA-C-N 119.905 1.229 . . . . 0.0 111.064 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -59.63 -47.1 86.91 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 118.171 0.986 . . . . 0.0 109.197 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -65.07 -21.06 66.76 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 117.767 -1.111 . . . . 0.0 111.248 -177.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.54 -36.48 33.05 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.264 -1.35 . . . . 0.0 110.071 177.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -129.09 52.12 1.99 Allowed 'General case' 0 C--N 1.359 0.994 0 CA-C-N 119.713 1.142 . . . . 0.0 111.324 -175.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -164.6 -61.79 0.03 OUTLIER 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 173.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -76.81 -46.83 23.43 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 168.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 79.45 41.97 0.08 Allowed 'General case' 0 C--N 1.356 0.85 0 O-C-N 123.489 0.493 . . . . 0.0 110.205 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -66.37 -30.51 70.91 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.508 -1.234 . . . . 0.0 109.77 176.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.8 tp -34.45 -42.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.919 0 CA-C-O 118.198 -0.906 . . . . 0.0 112.194 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.9 m -107.38 -58.21 1.98 Allowed 'General case' 0 C--N 1.356 0.859 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 173.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.355 0.811 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 . . . . . 0 CA--C 1.508 -0.641 0 CA-C-O 118.722 -0.656 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.04 92.85 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 169.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -50.37 149.39 3.07 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.098 -0.953 . . . . 0.0 111.424 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.35 -77.27 0.89 Allowed Glycine 0 C--N 1.356 1.671 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 176.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.6 p -40.76 -45.24 2.39 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.926 -1.035 . . . . 0.0 112.066 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -52.61 -37.92 59.18 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.742 1.155 . . . . 0.0 111.056 -175.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.5 mt -59.08 -50.19 80.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.9 t -59.57 -65.66 0.64 Allowed 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.791 -1.1 . . . . 0.0 108.155 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -151.51 -73.0 0.15 Allowed 'General case' 0 C--N 1.357 0.904 0 CA-C-O 117.355 -1.307 . . . . 0.0 110.743 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -151.55 -68.9 0.17 Allowed 'General case' 0 C--N 1.358 0.976 0 CA-C-N 120.613 1.551 . . . . 0.0 111.006 -177.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.7 p 145.14 -60.66 0.0 OUTLIER 'General case' 0 C--N 1.357 0.92 0 CA-C-N 119.261 0.937 . . . . 0.0 109.172 176.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.9 mm 72.02 -63.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.809 0 CA-C-O 118.767 -0.635 . . . . 0.0 109.693 -173.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.67 3.01 10.48 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 116.669 -1.634 . . . . 0.0 113.279 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -32.81 63.9 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 122.121 2.237 . . . . 0.0 109.075 177.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -60.48 -47.07 87.73 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 118.122 -0.942 . . . . 0.0 108.51 176.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -61.78 -46.38 89.8 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.339 0.972 . . . . 0.0 109.734 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.9 mm -57.29 -46.69 85.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -178.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -64.73 -47.81 76.91 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -177.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -49.05 -55.98 10.41 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 118.582 0.628 . . . . 0.0 109.609 178.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.77 -46.91 87.53 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.52 -62.76 1.29 Allowed 'General case' 0 C--N 1.351 0.653 0 CA-C-O 116.642 -1.647 . . . . 0.0 111.749 -171.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -58.1 -36.91 73.56 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 121.796 2.089 . . . . 0.0 111.111 -175.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -59.19 -54.27 36.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-N 120.203 1.365 . . . . 0.0 107.786 177.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -63.4 -39.72 95.27 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 120.574 -0.451 . . . . 0.0 111.265 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.441 ' CE2' ' NE2' ' A' ' 29' ' ' GLN . 89.2 t90 -70.26 -51.21 32.31 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 118.587 -0.721 . . . . 0.0 109.557 -175.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.1 mt -51.66 -56.09 15.63 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.86 -34.56 78.67 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.585 -177.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.11 -1.82 34.34 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 116.133 -1.889 . . . . 0.0 112.573 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.441 ' NE2' ' CE2' ' A' ' 25' ' ' TRP . 31.6 mm-40 -61.01 -44.11 97.89 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 122.314 2.325 . . . . 0.0 109.785 176.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -55.87 -48.92 74.7 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 174.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.52 -34.81 60.44 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.701 176.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -65.66 -47.5 75.32 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.397 1.599 . . . . 0.0 108.733 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -57.22 -43.27 82.68 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -62.23 -38.96 91.21 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.271 -0.972 . . . . 0.0 110.759 176.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -73.87 -4.86 37.49 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.117 -1.42 . . . . 0.0 113.068 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -142.6 -64.78 0.41 Allowed 'General case' 0 C--N 1.355 0.828 0 CA-C-N 120.947 1.703 . . . . 0.0 111.267 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.75 -54.63 26.35 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.57 1.077 . . . . 0.0 108.743 -178.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -59.37 -47.7 84.44 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 119.238 -0.985 . . . . 0.0 108.984 -177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -54.41 -26.01 28.11 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.38 -1.295 . . . . 0.0 112.283 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.1 mm -57.88 -53.54 43.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 120.845 1.657 . . . . 0.0 106.946 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 93.3 m -68.89 -60.99 1.99 Allowed 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? . . . . . 0 CA--C 1.505 -0.78 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 176.67 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 CA--C 1.509 -0.607 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.77 73.65 2.73 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 172.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -62.44 137.87 58.35 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.399 -1.286 . . . . 0.0 108.941 -173.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.44 -41.25 2.28 Favored Glycine 0 C--N 1.357 1.703 0 CA-C-O 118.519 -1.156 . . . . 0.0 110.765 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.8 p -74.67 -56.88 4.32 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.056 1.428 . . . . 0.0 109.448 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -51.16 -34.28 30.63 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 119.752 -0.779 . . . . 0.0 109.745 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.4 mt -66.33 -56.31 14.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 176.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.7 t -65.82 -79.44 0.04 OUTLIER 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.421 -1.276 . . . . 0.0 110.091 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -160.77 44.71 0.19 Allowed 'General case' 0 C--N 1.357 0.892 0 CA-C-N 120.799 1.636 . . . . 0.0 112.416 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 62.09 -60.22 0.12 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 173.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.9 m 87.14 -57.4 0.04 OUTLIER 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.772 1.624 . . . . 0.0 108.905 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.9 mt 71.37 -71.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 119.059 0.845 . . . . 0.0 110.633 172.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.62 -8.54 35.45 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.68 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -41.67 -31.33 0.28 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.693 1.588 . . . . 0.0 113.323 175.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -49.58 -44.29 46.8 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 120.652 1.569 . . . . 0.0 110.325 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -60.04 -46.37 89.73 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 175.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 39.7 mm -58.64 -32.31 45.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-O 118.21 -0.9 . . . . 0.0 109.044 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -64.33 -46.65 82.58 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 120.2 1.364 . . . . 0.0 107.607 177.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -56.97 -54.03 51.36 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.698 -0.801 . . . . 0.0 108.988 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -50.28 -44.51 53.88 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 120.221 -0.592 . . . . 0.0 109.652 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -67.63 -65.45 0.69 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.27 -1.348 . . . . 0.0 110.64 -175.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -61.92 -38.85 89.98 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 121.484 1.947 . . . . 0.0 110.464 -173.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.68 -56.26 18.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 CA-C-N 119.991 1.269 . . . . 0.0 108.905 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -67.21 -49.97 62.6 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.36 -174.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.8 t90 -49.38 -47.42 47.66 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 118.415 -0.802 . . . . 0.0 112.587 -177.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 78.8 mt -68.67 -56.12 9.2 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.432 -0.907 . . . . 0.0 109.169 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 pp -61.57 -26.37 67.91 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.662 -1.161 . . . . 0.0 110.924 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.96 -42.95 46.93 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.94 1.245 . . . . 0.0 109.223 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -58.0 -57.27 13.53 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -62.32 -44.12 97.24 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.33 -50.86 5.47 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-O 117.904 -1.498 . . . . 0.0 113.367 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 36' ' ' TRP . 20.8 pttp -67.47 -47.69 69.37 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.073 1.936 . . . . 0.0 107.576 -179.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -45.06 -45.57 11.0 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 120.729 1.604 . . . . 0.0 109.367 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -62.67 -52.22 64.16 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.282 -0.866 . . . . 0.0 109.702 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -103.01 50.64 0.81 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-N 118.649 0.659 . . . . 0.0 111.069 -177.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' LYS . 30.1 t90 -164.66 -75.03 0.03 OUTLIER 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.466 -1.255 . . . . 0.0 108.505 174.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -56.94 -51.15 70.3 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 120.58 1.536 . . . . 0.0 108.43 -175.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -61.41 -43.04 99.57 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -60.56 -41.27 94.24 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.83 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.6 mm -62.9 -49.3 84.15 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 m -50.97 -45.01 60.78 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -176.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 . . . . . 0 C--N 1.354 0.782 0 N-CA-C 106.684 -1.598 . . . . 0.0 106.684 170.846 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 CA--C 1.511 -0.525 0 CA-C-O 118.647 -0.692 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.09 69.45 4.44 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -61.64 147.55 45.44 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.267 -177.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.83 -45.44 1.71 Allowed Glycine 0 C--N 1.357 1.704 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.9 p -65.4 -52.2 55.12 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.671 1.235 . . . . 0.0 109.258 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -56.35 -30.74 63.03 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.84 1.2 . . . . 0.0 110.484 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 73.2 mt -69.01 -55.69 14.62 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 177.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.5 t -89.52 -56.79 3.11 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 118.573 0.624 . . . . 0.0 112.531 -171.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.48 -33.34 69.2 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-O 117.958 -1.02 . . . . 0.0 111.99 -176.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 79.34 -69.79 0.11 Allowed 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.484 -1.246 . . . . 0.0 112.658 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 m -161.65 -57.34 0.05 OUTLIER 'General case' 0 C--N 1.356 0.862 0 CA-C-N 120.866 1.666 . . . . 0.0 114.951 -169.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.3 mt -62.93 -64.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-N 119.726 1.148 . . . . 0.0 110.319 -166.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.18 -56.21 20.98 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 119.366 -0.934 . . . . 0.0 108.941 -175.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.9 ptm -48.66 -36.94 17.07 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-O 117.733 -1.127 . . . . 0.0 112.484 -177.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -67.75 -53.17 29.4 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 120.363 1.438 . . . . 0.0 108.442 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -52.07 -48.19 64.78 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 118.997 0.817 . . . . 0.0 110.377 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.1 mm -73.11 -44.38 56.4 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.388 -172.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -63.96 -53.3 52.44 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 119.802 1.183 . . . . 0.0 108.044 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -49.18 -57.69 6.28 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -53.18 -46.34 68.92 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 119.165 -0.445 . . . . 0.0 111.467 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -76.5 -56.75 4.34 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 117.835 -1.079 . . . . 0.0 111.315 -169.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -65.67 -37.93 87.86 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 120.426 1.466 . . . . 0.0 109.574 -175.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.1 t -54.53 -47.36 71.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 120.513 1.506 . . . . 0.0 107.514 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -62.51 -38.28 89.32 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.45 -0.786 . . . . 0.0 111.73 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -69.26 -47.03 65.83 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.142 1.337 . . . . 0.0 110.904 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -55.25 -52.93 61.83 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.1 pp -60.52 -36.49 78.51 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.98 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.82 24.99 3.82 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 119.539 1.063 . . . . 0.0 112.45 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 30' ' ' LYS . 19.2 tt0 -78.57 -34.05 47.25 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.167 -1.396 . . . . 0.0 109.673 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -24.0 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.358 0.937 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -179.141 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.42 19.69 1.88 Allowed Glycine 0 C--N 1.354 1.575 0 CA-C-O 116.146 -2.474 . . . . 0.0 114.136 178.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 54.94 77.57 0.21 Allowed 'General case' 0 C--N 1.36 1.04 0 CA-C-N 121.389 2.594 . . . . 0.0 107.227 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -134.71 -70.79 0.49 Allowed 'General case' 0 C--N 1.359 1.003 0 CA-C-O 118.396 -0.812 . . . . 0.0 111.309 -177.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -65.99 -21.93 66.43 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 120.17 1.35 . . . . 0.0 111.559 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -116.55 49.16 1.18 Allowed 'General case' 0 C--N 1.355 0.835 0 CA-C-N 120.036 1.289 . . . . 0.0 107.833 175.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -163.69 -59.04 0.04 OUTLIER 'General case' 0 C--N 1.357 0.922 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.932 -177.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.62 -44.2 62.25 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 173.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -38.11 -42.18 0.64 Allowed 'General case' 0 C--N 1.355 0.82 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.305 172.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -38.18 -41.35 0.59 Allowed 'General case' 0 C--N 1.353 0.758 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.27 -64.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 -174.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.9 t -58.95 -35.77 73.7 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.272 0.942 . . . . 0.0 110.184 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 . . . . . 0 C--N 1.354 0.779 0 CA-C-N 118.549 0.613 . . . . 0.0 110.894 179.798 . . . . . . . . 0 0 . 1 stop_ save_